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

Systemtic Name: 3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-7-[2-[2-[(4-nitrophenyl)methoxycarbonylamino]-1,3-thiazol-4-yl]ethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-7-[[2-[2-[(4-nitrophenyl)methoxycarbonylamino]thiazol-4-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[[(1-methyl-5-tetrazolyl)thio]methyl]-7-[[2-[2-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-4-thiazolyl]-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-7-[[2-[2-[(4-nitrophenyl)methoxycarbonylamino]-1,3-thiazol-4-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-3-[[(1-methyltetrazol-5-yl)thio]methyl]-7-[[2-[2-[(4-nitrobenzyl)oxycarbonylamino]thiazol-4-yl]acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C23H21N9O8S3 MolecularWeight: 647.66334

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)CC4=CSC(=N4)NC(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])SC2)C(=O)O

Isomeric SMILES

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)CC4=CSC(=N4)NC(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])SC2)C(=O)O

InChI

InChI=1S/C23H21N9O8S3/c1-30-22(27-28-29-30)43-9-12-8-41-19-16(18(34)31(19)17(12)20(35)36)25-15(33)6-13-10-42-21(24-13)26-23(37)40-7-11-2-4-14(5-3-11)32(38)39/h2-5,10,16,19H,6-9H2,1H3,(H,25,33)(H,35,36)(H,24,26,37)