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

Systemtic Name: methyl 4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)-2-methoxy-benzoate Openeye Name: methyl 4-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2-methoxy-benzoate CAS Name: 4-[3,4-dihydro-2H-1,5-benzothiazepin-5-yl(oxo)methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2-methoxybenzoate Traditional Name: 4-(3,4-dihydro-2H-1,5-benzothiazepine-5-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)N2CCCSC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CCCSC3=CC=CC=C32)C(=O)OC

InChI

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