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

Systemtic Name: tert-butyl 4-[[4-(3,5-dihydro-2H-4,1-benzothiazepin-1-ylcarbonyl)-2-methoxy-phenyl]carbonylamino]-2-methyl-benzimidazole-1-carboxylate Openeye Name: tert-butyl 4-[[4-(3,5-dihydro-2H-4,1-benzothiazepine-1-carbonyl)-2-methoxy-benzoyl]amino]-2-methyl-benzimidazole-1-carboxylate CAS Name: 4-[[[4-[3,5-dihydro-2H-4,1-benzothiazepin-1-yl(oxo)methyl]-2-methoxyphenyl]-oxomethyl]amino]-2-methyl-1-benzimidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(3,5-dihydro-2H-4,1-benzothiazepine-1-carbonyl)-2-methoxybenzoyl]amino]-2-methylbenzimidazole-1-carboxylate Traditional Name: 4-[[4-(3,5-dihydro-2H-4,1-benzothiazepine-1-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)N4CCSCC5=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)N4CCSCC5=CC=CC=C54)OC

InChI

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