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

Systemtic Name: (2S,3S)-2-(4-methoxyphenyl)-8-(2-methylphenoxy)-3-oxidanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: (2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-8-(2-methylphenoxy)-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: (2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-8-(2-methylphenoxy)-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: (2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-8-(2-methylphenoxy)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: (2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-8-(2-methylphenoxy)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C23H21NO4S MolecularWeight: 407.48214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=CC3=C(C=C2)NC(=O)C(C(S3)C4=CC=C(C=C4)OC)O

Isomeric SMILES

CC1=CC=CC=C1OC2=CC3=C(C=C2)NC(=O)[C@@H]([C@@H](S3)C4=CC=C(C=C4)OC)O

InChI

InChI=1S/C23H21NO4S/c1-14-5-3-4-6-19(14)28-17-11-12-18-20(13-17)29-22(21(25)23(26)24-18)15-7-9-16(27-2)10-8-15/h3-13,21-22,25H,1-2H3,(H,24,26)/t21-,22+/m1/s1