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

Systemtic Name: tert-butyl 7-[(1-methoxybenzimidazol-2-yl)amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 7-[(1-methoxybenzimidazol-2-yl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[(1-methoxy-2-benzimidazolyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[(1-methoxybenzimidazol-2-yl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-7-[(1-methoxybenzimidazol-2-yl)amino]-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC3=NC4=CC=CC=C4N3OC)SC1)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC3=NC4=CC=CC=C4N3OC)SC1)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H24N4O4S/c1-11-10-29-17-14(16(25)23(17)15(11)18(26)28-20(2,3)4)22-19-21-12-8-6-7-9-13(12)24(19)27-5/h6-9,14,17H,10H2,1-5H3,(H,21,22)