(2R,3R)-2-(4-methoxyphenyl)-3-oxidanyl-5-(2-oxidanyl-3-pyrrolidin-3-yl-propyl)-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: (2R,3R)-2-(4-methoxyphenyl)-3-oxidanyl-5-(2-oxidanyl-3-pyrrolidin-3-yl-propyl)-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: (2R,3R)-3-hydroxy-5-(2-hydroxy-3-pyrrolidin-3-yl-propyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: (2R,3R)-3-hydroxy-5-[2-hydroxy-3-(3-pyrrolidinyl)propyl]-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: (2R,3R)-3-hydroxy-5-(2-hydroxy-3-pyrrolidin-3-ylpropyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: (2R,3R)-3-hydroxy-5-(2-hydroxy-3-pyrrolidin-3-yl-propyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=O)N(C3=CC=CC=C3S2)CC(CC4CCNC4)O)O

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2[C@@H](C(=O)N(C3=CC=CC=C3S2)CC(CC4CCNC4)O)O

InChI

InChI=1S/C23H28N2O4S/c1-29-18-8-6-16(7-9-18)22-21(27)23(28)25(19-4-2-3-5-20(19)30-22)14-17(26)12-15-10-11-24-13-15/h2-9,15,17,21-22,24,26-27H,10-14H2,1H3/t15?,17?,21-,22+/m0/s1