[(2R,3R)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-7,8-dimethyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] 4-methylbenzoate

Systemtic Name: [(2R,3R)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-7,8-dimethyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] 4-methylbenzoate Openeye Name: [(2R,3R)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-7,8-dimethyl-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)-7,8-dimethyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [(2R,3R)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-7,8-dimethyl-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)-7,8-dimethyl-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C30H34N2O4S MolecularWeight: 518.66696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H34N2O4S/c1-19-7-9-23(10-8-19)30(34)36-27-28(22-11-13-24(35-6)14-12-22)37-26-18-21(3)20(2)17-25(26)32(29(27)33)16-15-31(4)5/h7-14,17-18,27-28H,15-16H2,1-6H3/t27-,28+/m0/s1