ethanoic acid; 2-(4-methoxyphenyl)-5H-1,5-benzothiazepin-4-one

Systemtic Name: ethanoic acid; 2-(4-methoxyphenyl)-5H-1,5-benzothiazepin-4-one Openeye Name: acetic acid; 2-(4-methoxyphenyl)-5H-1,5-benzothiazepin-4-one CAS Name: acetic acid; 2-(4-methoxyphenyl)-5H-1,5-benzothiazepin-4-one IUPAC Name: acetic acid; 2-(4-methoxyphenyl)-5H-1,5-benzothiazepin-4-one Traditional Name: acetic acid; 2-(4-methoxyphenyl)-5H-1,5-benzothiazepin-4-one Formula: C18H17NO4S MolecularWeight: 343.39688

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.COC1=CC=C(C=C1)C2=CC(=O)NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)O.COC1=CC=C(C=C1)C2=CC(=O)NC3=CC=CC=C3S2

InChI

InChI=1S/C16H13NO2S.C2H4O2/c1-19-12-8-6-11(7-9-12)15-10-16(18)17-13-4-2-3-5-14(13)20-15;1-2(3)4/h2-10H,1H3,(H,17,18);1H3,(H,3,4)