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

Systemtic Name: [2-(4-methoxyphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] propanoate Openeye Name: [2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] propanoate CAS Name: propanoic acid [2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] ester IUPAC Name: [2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] propanoate Traditional Name: propionic acid [4-keto-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] ester Formula: C19H19NO4S MolecularWeight: 357.42346

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1C(SC2=CC=CC=C2NC1=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC(=O)OC1C(SC2=CC=CC=C2NC1=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H19NO4S/c1-3-16(21)24-17-18(12-8-10-13(23-2)11-9-12)25-15-7-5-4-6-14(15)20-19(17)22/h4-11,17-18H,3H2,1-2H3,(H,20,22)