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

Systemtic Name: tert-butyl 3-methyl-7-[(1-methylbenzimidazol-2-yl)amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 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-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 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-carboxylic acid tert-butyl ester Formula: C20H24N4O3S MolecularWeight: 400.49456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC3=NC4=CC=CC=C4N3C)SC1)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC3=NC4=CC=CC=C4N3C)SC1)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H24N4O3S/c1-11-10-28-17-14(16(25)24(17)15(11)18(26)27-20(2,3)4)22-19-21-12-8-6-7-9-13(12)23(19)5/h6-9,14,17H,10H2,1-5H3,(H,21,22)