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

Systemtic Name: [8-chloranyl-5-(2-dimethylaminoethyl)-2-(4-methylphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate Openeye Name: [8-chloro-5-(2-dimethylaminoethyl)-4-oxo-2-(p-tolyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate CAS Name: acetic acid [8-chloro-5-(2-dimethylaminoethyl)-2-(4-methylphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [8-chloro-5-(2-dimethylaminoethyl)-2-(4-methylphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate Traditional Name: acetic acid [8-chloro-5-(2-dimethylaminoethyl)-4-keto-2-(p-tolyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C22H25ClN2O3S MolecularWeight: 432.9635

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C(=O)N(C3=C(S2)C=C(C=C3)Cl)CCN(C)C)OC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2C(C(=O)N(C3=C(S2)C=C(C=C3)Cl)CCN(C)C)OC(=O)C

InChI

InChI=1S/C22H25ClN2O3S/c1-14-5-7-16(8-6-14)21-20(28-15(2)26)22(27)25(12-11-24(3)4)18-10-9-17(23)13-19(18)29-21/h5-10,13,20-21H,11-12H2,1-4H3