3-methyl-7-[(1-methylbenzimidazol-2-yl)amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 3-methyl-7-[(1-methylbenzimidazol-2-yl)amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 3-methyl-7-[(1-methylbenzimidazol-2-yl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-methyl-7-[(1-methyl-2-benzimidazolyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 3-methyl-7-[(1-methylbenzimidazol-2-yl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-3-methyl-7-[(1-methylbenzimidazol-2-yl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C16H15N4O3S- MolecularWeight: 343.3803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC3=NC4=CC=CC=C4N3C)SC1)C(=O)[O-]

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC3=NC4=CC=CC=C4N3C)SC1)C(=O)[O-]

InChI

InChI=1S/C16H16N4O3S/c1-8-7-24-14-11(13(21)20(14)12(8)15(22)23)18-16-17-9-5-3-4-6-10(9)19(16)2/h3-6,11,14H,7H2,1-2H3,(H,17,18)(H,22,23)/p-1