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

Systemtic Name: ethyl 4-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanoylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3S/c1-2-25-20(24)15-8-10-16(11-9-15)21-19(23)14-22-12-5-13-26-18-7-4-3-6-17(18)22/h3-4,6-11H,2,5,12-14H2,1H3,(H,21,23)