[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] 2-(2,4-dimethoxyphenyl)ethanoate

Systemtic Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] 2-(2,4-dimethoxyphenyl)ethanoate Openeye Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl] 2-(2,4-dimethoxyphenyl)acetate CAS Name: 2-(2,4-dimethoxyphenyl)acetic acid [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate Traditional Name: 2-(2,4-dimethoxyphenyl)acetic acid [2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl] ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)CC3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)CC3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C22H25NO5S/c1-15-10-11-23(18-6-4-5-7-20(18)29-15)21(24)14-28-22(25)12-16-8-9-17(26-2)13-19(16)27-3/h4-9,13,15H,10-12,14H2,1-3H3