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

Systemtic Name: (2S,3S)-3-ethanoyl-2-(4-methoxyphenyl)-5-(2-phenylmethoxyethyl)-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: (2S,3S)-3-acetyl-5-(2-benzyloxyethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: (2S,3S)-3-acetyl-2-(4-methoxyphenyl)-5-(2-phenylmethoxyethyl)-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: (2S,3S)-3-acetyl-2-(4-methoxyphenyl)-5-(2-phenylmethoxyethyl)-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: (2S,3S)-3-acetyl-5-(2-benzoxyethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C27H27NO4S MolecularWeight: 461.57258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(SC2=CC=CC=C2N(C1=O)CCOCC3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(=O)[C@@H]1[C@H](SC2=CC=CC=C2N(C1=O)CCOCC3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H27NO4S/c1-19(29)25-26(21-12-14-22(31-2)15-13-21)33-24-11-7-6-10-23(24)28(27(25)30)16-17-32-18-20-8-4-3-5-9-20/h3-15,25-26H,16-18H2,1-2H3/t25-,26-/m1/s1