(2S,3S)-2-(4-methoxyphenyl)-3-oxidanyl-5-(2-phenylmethoxyethyl)-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: (2S,3S)-2-(4-methoxyphenyl)-3-oxidanyl-5-(2-phenylmethoxyethyl)-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: (2S,3S)-5-(2-benzyloxyethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: (2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-5-(2-phenylmethoxyethyl)-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: (2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-5-(2-phenylmethoxyethyl)-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: (2S,3S)-5-(2-benzoxyethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C25H25NO4S MolecularWeight: 435.5353

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=O)N(C3=CC=CC=C3S2)CCOCC4=CC=CC=C4)O

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2[C@H](C(=O)N(C3=CC=CC=C3S2)CCOCC4=CC=CC=C4)O

InChI

InChI=1S/C25H25NO4S/c1-29-20-13-11-19(12-14-20)24-23(27)25(28)26(21-9-5-6-10-22(21)31-24)15-16-30-17-18-7-3-2-4-8-18/h2-14,23-24,27H,15-17H2,1H3/t23-,24+/m1/s1