[(2R,3R)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-8-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] 4-methylbenzoate

Systemtic Name: [(2R,3R)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-8-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] 4-methylbenzoate Openeye Name: [(2R,3R)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-8-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(2R,3R)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-8-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [(2R,3R)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-8-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(2R,3R)-5-(2-dimethylaminoethyl)-4-keto-2-(4-methoxyphenyl)-8-methyl-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C29H32N2O4S MolecularWeight: 504.64038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2C(SC3=C(C=CC(=C3)C)N(C2=O)CCN(C)C)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)O[C@H]2[C@H](SC3=C(C=CC(=C3)C)N(C2=O)CCN(C)C)C4=CC=C(C=C4)OC

InChI

InChI=1S/C29H32N2O4S/c1-19-6-9-22(10-7-19)29(33)35-26-27(21-11-13-23(34-5)14-12-21)36-25-18-20(2)8-15-24(25)31(28(26)32)17-16-30(3)4/h6-15,18,26-27H,16-17H2,1-5H3/t26-,27+/m0/s1