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

Systemtic Name: methyl 4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)benzoate Openeye Name: methyl 4-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)benzoate CAS Name: 4-[3,4-dihydro-2H-1,5-benzothiazepin-5-yl(oxo)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)benzoate Traditional Name: 4-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)benzoic acid methyl ester Formula: C18H17NO3S MolecularWeight: 327.39748

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N2CCCSC3=CC=CC=C32

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N2CCCSC3=CC=CC=C32

InChI

InChI=1S/C18H17NO3S/c1-22-18(21)14-9-7-13(8-10-14)17(20)19-11-4-12-23-16-6-3-2-5-15(16)19/h2-3,5-10H,4,11-12H2,1H3