(2R,3R)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-8-methyl-3-phenylmethoxy-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: (2R,3R)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-8-methyl-3-phenylmethoxy-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: (2R,3R)-3-benzyloxy-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-8-methyl-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: (2R,3R)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-8-methyl-3-phenylmethoxy-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: (2R,3R)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-8-methyl-3-phenylmethoxy-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: (2R,3R)-3-benzoxy-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-8-methyl-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C28H32N2O3S MolecularWeight: 476.63028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(C(S2)C3=CC=C(C=C3)OC)OCC4=CC=CC=C4)CCN(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)[C@H]([C@H](S2)C3=CC=C(C=C3)OC)OCC4=CC=CC=C4)CCN(C)C

InChI

InChI=1S/C28H32N2O3S/c1-20-10-15-24-25(18-20)34-27(22-11-13-23(32-4)14-12-22)26(28(31)30(24)17-16-29(2)3)33-19-21-8-6-5-7-9-21/h5-15,18,26-27H,16-17,19H2,1-4H3/t26-,27+/m0/s1