[7-(4-methoxyphenyl)-5-oxidanylidene-3-phenyl-6,7-dihydro-4H-1,4-thiazepin-6-yl] ethanoate

Systemtic Name: [7-(4-methoxyphenyl)-5-oxidanylidene-3-phenyl-6,7-dihydro-4H-1,4-thiazepin-6-yl] ethanoate Openeye Name: [7-(4-methoxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-1,4-thiazepin-6-yl] acetate CAS Name: acetic acid [7-(4-methoxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-1,4-thiazepin-6-yl] ester IUPAC Name: [7-(4-methoxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-1,4-thiazepin-6-yl] acetate Traditional Name: acetic acid [5-keto-7-(4-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-1,4-thiazepin-6-yl] ester Formula: C20H19NO4S MolecularWeight: 369.43416

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(SC=C(NC1=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)OC1C(SC=C(NC1=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H19NO4S/c1-13(22)25-18-19(15-8-10-16(24-2)11-9-15)26-12-17(21-20(18)23)14-6-4-3-5-7-14/h3-12,18-19H,1-2H3,(H,21,23)