[(2S,3S)-8-acetyloxy-5-ethanoyl-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate

Systemtic Name: [(2S,3S)-8-acetyloxy-5-ethanoyl-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate Openeye Name: [(2S,3S)-8-acetoxy-5-acetyl-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate CAS Name: acetic acid [(2S,3S)-5-acetyl-8-acetyloxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [(2S,3S)-5-acetyl-8-acetyloxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate Traditional Name: acetic acid [(2S,3S)-8-acetoxy-5-acetyl-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C22H21NO7S MolecularWeight: 443.46964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C2=C(C=C(C=C2)OC(=O)C)SC(C(C1=O)OC(=O)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)N1C2=C(C=C(C=C2)OC(=O)C)S[C@H]([C@H](C1=O)OC(=O)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H21NO7S/c1-12(24)23-18-10-9-17(29-13(2)25)11-19(18)31-21(20(22(23)27)30-14(3)26)15-5-7-16(28-4)8-6-15/h5-11,20-21H,1-4H3/t20-,21+/m1/s1