[5-(cyanomethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate

Systemtic Name: [5-(cyanomethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate Openeye Name: [5-(cyanomethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate CAS Name: acetic acid [5-(cyanomethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [5-(cyanomethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate Traditional Name: acetic acid [5-(cyanomethyl)-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CC#N)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CC#N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H18N2O4S/c1-13(23)26-18-19(14-7-9-15(25-2)10-8-14)27-17-6-4-3-5-16(17)22(12-11-21)20(18)24/h3-10,18-19H,12H2,1-2H3