[5-(2-dimethylaminoethyl)-2-(4-methylphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate

Systemtic Name: [5-(2-dimethylaminoethyl)-2-(4-methylphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate Openeye Name: [5-(2-dimethylaminoethyl)-4-oxo-2-(p-tolyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate CAS Name: acetic acid [5-(2-dimethylaminoethyl)-2-(4-methylphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [5-(2-dimethylaminoethyl)-2-(4-methylphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate Traditional Name: acetic acid [5-(2-dimethylaminoethyl)-4-keto-2-(p-tolyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C(=O)N(C3=CC=CC=C3S2)CCN(C)C)OC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2C(C(=O)N(C3=CC=CC=C3S2)CCN(C)C)OC(=O)C

InChI

InChI=1S/C22H26N2O3S/c1-15-9-11-17(12-10-15)21-20(27-16(2)25)22(26)24(14-13-23(3)4)18-7-5-6-8-19(18)28-21/h5-12,20-21H,13-14H2,1-4H3