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

Systemtic Name: (2R,3R)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-3-oxidanyl-8-phenylmethoxy-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: (2R,3R)-8-benzyloxy-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: (2R,3R)-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-8-phenylmethoxy-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: (2R,3R)-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-8-phenylmethoxy-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: (2R,3R)-8-benzoxy-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C27H30N2O4S MolecularWeight: 478.6031

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=C(C=C(C=C2)OCC3=CC=CC=C3)SC(C(C1=O)O)C4=CC=C(C=C4)OC

Isomeric SMILES

CN(C)CCN1C2=C(C=C(C=C2)OCC3=CC=CC=C3)S[C@@H]([C@@H](C1=O)O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H30N2O4S/c1-28(2)15-16-29-23-14-13-22(33-18-19-7-5-4-6-8-19)17-24(23)34-26(25(30)27(29)31)20-9-11-21(32-3)12-10-20/h4-14,17,25-26,30H,15-16,18H2,1-3H3/t25-,26+/m0/s1