tert-butyl 4-[[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)-2-methoxy-phenyl]carbonylamino]-2-methyl-benzimidazole-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)-2-methoxy-phenyl]carbonylamino]-2-methyl-benzimidazole-1-carboxylate Openeye Name: tert-butyl 4-[[4-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2-methoxy-benzoyl]amino]-2-methyl-benzimidazole-1-carboxylate CAS Name: 4-[[[4-[3,4-dihydro-2H-1,5-benzothiazepin-5-yl(oxo)methyl]-2-methoxyphenyl]-oxomethyl]amino]-2-methyl-1-benzimidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2-methoxybenzoyl]amino]-2-methylbenzimidazole-1-carboxylate Traditional Name: 4-[[4-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2-methoxy-benzoyl]amino]-2-methyl-benzimidazole-1-carboxylic acid tert-butyl ester Formula: C31H32N4O5S MolecularWeight: 572.67458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C(=O)OC(C)(C)C)C=CC=C2NC(=O)C3=C(C=C(C=C3)C(=O)N4CCCSC5=CC=CC=C54)OC

Isomeric SMILES

CC1=NC2=C(N1C(=O)OC(C)(C)C)C=CC=C2NC(=O)C3=C(C=C(C=C3)C(=O)N4CCCSC5=CC=CC=C54)OC

InChI

InChI=1S/C31H32N4O5S/c1-19-32-27-22(10-8-12-24(27)35(19)30(38)40-31(2,3)4)33-28(36)21-15-14-20(18-25(21)39-5)29(37)34-16-9-17-41-26-13-7-6-11-23(26)34/h6-8,10-15,18H,9,16-17H2,1-5H3,(H,33,36)