methyl 4-(3,5-dihydro-2H-4,1-benzothiazepin-1-ylcarbonyl)-2-methoxy-benzoate

Systemtic Name: methyl 4-(3,5-dihydro-2H-4,1-benzothiazepin-1-ylcarbonyl)-2-methoxy-benzoate Openeye Name: methyl 4-(3,5-dihydro-2H-4,1-benzothiazepine-1-carbonyl)-2-methoxy-benzoate CAS Name: 4-[3,5-dihydro-2H-4,1-benzothiazepin-1-yl(oxo)methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-(3,5-dihydro-2H-4,1-benzothiazepine-1-carbonyl)-2-methoxybenzoate Traditional Name: 4-(3,5-dihydro-2H-4,1-benzothiazepine-1-carbonyl)-2-methoxy-benzoic acid methyl ester Formula: C19H19NO4S MolecularWeight: 357.42346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CCSCC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CCSCC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C19H19NO4S/c1-23-17-11-13(7-8-15(17)19(22)24-2)18(21)20-9-10-25-12-14-5-3-4-6-16(14)20/h3-8,11H,9-10,12H2,1-2H3