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

Systemtic Name: (2S,3S)-2-(4-methoxyphenyl)-3-oxidanyl-8-phenylsulfanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: (2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-8-phenylsulfanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: (2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-8-(phenylthio)-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: (2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-8-phenylsulfanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: (2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-8-(phenylthio)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C22H19NO3S2 MolecularWeight: 409.52116

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=O)NC3=C(S2)C=C(C=C3)SC4=CC=CC=C4)O

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2[C@H](C(=O)NC3=C(S2)C=C(C=C3)SC4=CC=CC=C4)O

InChI

InChI=1S/C22H19NO3S2/c1-26-15-9-7-14(8-10-15)21-20(24)22(25)23-18-12-11-17(13-19(18)28-21)27-16-5-3-2-4-6-16/h2-13,20-21,24H,1H3,(H,23,25)/t20-,21+/m1/s1