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

Systemtic Name: (2S,3S)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-3-oxidanyl-8-phenylsulfanyl-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: (2S,3S)-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-8-phenylsulfanyl-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: (2S,3S)-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-8-(phenylthio)-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: (2S,3S)-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-8-phenylsulfanyl-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: (2S,3S)-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-8-(phenylthio)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C26H28N2O3S2 MolecularWeight: 480.64212

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=C(C=C(C=C2)SC3=CC=CC=C3)SC(C(C1=O)O)C4=CC=C(C=C4)OC

Isomeric SMILES

CN(C)CCN1C2=C(C=C(C=C2)SC3=CC=CC=C3)S[C@H]([C@H](C1=O)O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H28N2O3S2/c1-27(2)15-16-28-22-14-13-21(32-20-7-5-4-6-8-20)17-23(22)33-25(24(29)26(28)30)18-9-11-19(31-3)12-10-18/h4-14,17,24-25,29H,15-16H2,1-3H3/t24-,25+/m1/s1