methyl 6-methyl-2-[2-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 6-methyl-2-[2-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-methyl-2-[[2-(3-methyl-2-oxo-benzimidazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[2-(3-methyl-2-oxo-1-benzimidazolyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(2-keto-3-methyl-benzimidazol-1-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CN3C4=CC=CC=C4N(C3=O)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CN3C4=CC=CC=C4N(C3=O)C

InChI

InChI=1S/C21H23N3O4S/c1-12-8-9-13-16(10-12)29-19(18(13)20(26)28-3)22-17(25)11-24-15-7-5-4-6-14(15)23(2)21(24)27/h4-7,12H,8-11H2,1-3H3,(H,22,25)