methyl 4-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetyl]amino]benzoic acid methyl ester Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CN2CCCSC3=CC=CC=C32

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CN2CCCSC3=CC=CC=C32

InChI

InChI=1S/C19H20N2O3S/c1-24-19(23)14-7-9-15(10-8-14)20-18(22)13-21-11-4-12-25-17-6-3-2-5-16(17)21/h2-3,5-10H,4,11-13H2,1H3,(H,20,22)