sodium 7-[2-[3-[[methyl-[(E)-3-phenylprop-2-enoyl]carbamoyl]amino]thiophen-2-yl]ethanoylamino]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: sodium 7-[2-[3-[[methyl-[(E)-3-phenylprop-2-enoyl]carbamoyl]amino]thiophen-2-yl]ethanoylamino]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium 7-[[2-[3-[[methyl-[(E)-3-phenylprop-2-enoyl]carbamoyl]amino]-2-thienyl]acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium 7-[[2-[3-[[[methyl-[(E)-1-oxo-3-phenylprop-2-enyl]amino]-oxomethyl]amino]-2-thiophenyl]-1-oxoethyl]amino]-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium 7-[[2-[3-[[methyl-[(E)-3-phenylprop-2-enoyl]carbamoyl]amino]thiophen-2-yl]acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium 8-keto-7-[[2-[3-[[methyl-[(E)-3-phenylacryloyl]carbamoyl]amino]-2-thienyl]acetyl]amino]-3-[[(1-methyltetrazol-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C27H25N8NaO6S3 MolecularWeight: 676.72217

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)CC4=C(C=CS4)NC(=O)N(C)C(=O)C=CC5=CC=CC=C5)SC2)C(=O)[O-].[Na+]

Isomeric SMILES

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)CC4=C(C=CS4)NC(=O)N(C)C(=O)/C=C/C5=CC=CC=C5)SC2)C(=O)[O-].[Na+]

InChI

InChI=1S/C27H26N8O6S3.Na/c1-33(20(37)9-8-15-6-4-3-5-7-15)26(41)28-17-10-11-42-18(17)12-19(36)29-21-23(38)35-22(25(39)40)16(13-43-24(21)35)14-44-27-30-31-32-34(27)2;/h3-11,21,24H,12-14H2,1-2H3,(H,28,41)(H,29,36)(H,39,40);/q;+1/p-1/b9-8+;