[6-(4-methoxyphenyl)-5-oxidanylidene-pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] ethanoate

Systemtic Name: [6-(4-methoxyphenyl)-5-oxidanylidene-pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] ethanoate Openeye Name: [6-(4-methoxyphenyl)-5-oxo-pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] acetate CAS Name: acetic acid [6-(4-methoxyphenyl)-5-oxo-7-pyrrolo[2,1-d][1,5]benzothiazepinyl] ester IUPAC Name: [6-(4-methoxyphenyl)-5-oxopyrrolo[2,1-d][1,5]benzothiazepin-7-yl] acetate Traditional Name: acetic acid [5-keto-6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] ester Formula: C21H17NO4S MolecularWeight: 379.42898

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(S(=O)C2=CC=CC=C2N3C1=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(=O)OC1=C(S(=O)C2=CC=CC=C2N3C1=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H17NO4S/c1-14(23)26-20-18-7-5-13-22(18)17-6-3-4-8-19(17)27(24)21(20)15-9-11-16(25-2)12-10-15/h3-13H,1-2H3