3,3-dimethyl-6-[(1-methylbenzimidazol-2-yl)amino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 3,3-dimethyl-6-[(1-methylbenzimidazol-2-yl)amino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 3,3-dimethyl-6-[(1-methylbenzimidazol-2-yl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 3,3-dimethyl-6-[(1-methyl-2-benzimidazolyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 3,3-dimethyl-6-[(1-methylbenzimidazol-2-yl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 7-keto-3,3-dimethyl-6-[(1-methylbenzimidazol-2-yl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC3=NC4=CC=CC=C4N3C)C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC3=NC4=CC=CC=C4N3C)C(=O)O)C

InChI

InChI=1S/C16H18N4O3S/c1-16(2)11(14(22)23)20-12(21)10(13(20)24-16)18-15-17-8-6-4-5-7-9(8)19(15)3/h4-7,10-11,13H,1-3H3,(H,17,18)(H,22,23)