ethyl 2-[2-(4-methoxyphenyl)-4-oxidanylidene-1,5-benzothiazepin-5-yl]ethanoate

Systemtic Name: ethyl 2-[2-(4-methoxyphenyl)-4-oxidanylidene-1,5-benzothiazepin-5-yl]ethanoate Openeye Name: ethyl 2-[2-(4-methoxyphenyl)-4-oxo-1,5-benzothiazepin-5-yl]acetate CAS Name: 2-[2-(4-methoxyphenyl)-4-oxo-1,5-benzothiazepin-5-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-methoxyphenyl)-4-oxo-1,5-benzothiazepin-5-yl]acetate Traditional Name: 2-[4-keto-2-(4-methoxyphenyl)-1,5-benzothiazepin-5-yl]acetic acid ethyl ester Formula: C20H19NO4S MolecularWeight: 369.43416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2SC(=CC1=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2SC(=CC1=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H19NO4S/c1-3-25-20(23)13-21-16-6-4-5-7-17(16)26-18(12-19(21)22)14-8-10-15(24-2)11-9-14/h4-12H,3,13H2,1-2H3