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

Systemtic Name: (2S,3S)-8-cyclohexyl-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: (2S,3S)-8-cyclohexyl-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: (2S,3S)-8-cyclohexyl-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: (2S,3S)-8-cyclohexyl-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: (2S,3S)-8-cyclohexyl-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C26H34N2O3S MolecularWeight: 454.62476

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=C(C=C(C=C2)C3CCCCC3)SC(C(C1=O)O)C4=CC=C(C=C4)OC

Isomeric SMILES

CN(C)CCN1C2=C(C=C(C=C2)C3CCCCC3)S[C@H]([C@H](C1=O)O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H34N2O3S/c1-27(2)15-16-28-22-14-11-20(18-7-5-4-6-8-18)17-23(22)32-25(24(29)26(28)30)19-9-12-21(31-3)13-10-19/h9-14,17-18,24-25,29H,4-8,15-16H2,1-3H3/t24-,25+/m1/s1