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

Systemtic Name: methyl 3-[3-acetyloxy-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]propanoate Openeye Name: methyl 3-[3-acetoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]propanoate CAS Name: 3-[3-acetyloxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-acetyloxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]propanoate Traditional Name: 3-[3-acetoxy-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]propionic acid methyl ester Formula: C22H23NO6S MolecularWeight: 429.48612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCC(=O)OC)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCC(=O)OC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H23NO6S/c1-14(24)29-20-21(15-8-10-16(27-2)11-9-15)30-18-7-5-4-6-17(18)23(22(20)26)13-12-19(25)28-3/h4-11,20-21H,12-13H2,1-3H3