7-[2-[5-(aminomethyl)thiophen-2-yl]ethanoylamino]-7-methoxy-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[2-[5-(aminomethyl)thiophen-2-yl]ethanoylamino]-7-methoxy-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-[5-(aminomethyl)-2-thienyl]acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-[5-(aminomethyl)-2-thiophenyl]-1-oxoethyl]amino]-7-methoxy-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[2-[5-(aminomethyl)thiophen-2-yl]acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-[5-(aminomethyl)-2-thienyl]acetyl]amino]-8-keto-7-methoxy-3-[[(1-methyltetrazol-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H21N7O5S3 MolecularWeight: 511.59824

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)CC4=CC=C(S4)CN)OC)SC2)C(=O)O

Isomeric SMILES

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)CC4=CC=C(S4)CN)OC)SC2)C(=O)O

InChI

InChI=1S/C18H21N7O5S3/c1-24-17(21-22-23-24)32-8-9-7-31-16-18(30-2,15(29)25(16)13(9)14(27)28)20-12(26)5-10-3-4-11(6-19)33-10/h3-4,16H,5-8,19H2,1-2H3,(H,20,26)(H,27,28)