[(1R,2R,3S,4R,5R)-3-acetamido-2-methylsulfanyl-5-phenoxycarbothioyloxy-4-(phenylcarbamoyloxy)cyclopentyl] ethanoate

Systemtic Name: [(1R,2R,3S,4R,5R)-3-acetamido-2-methylsulfanyl-5-phenoxycarbothioyloxy-4-(phenylcarbamoyloxy)cyclopentyl] ethanoate Openeye Name: [(1R,2R,3S,4R,5R)-3-acetamido-2-methylsulfanyl-5-phenoxycarbothioyloxy-4-(phenylcarbamoyloxy)cyclopentyl] acetate CAS Name: acetic acid [(1R,2R,3S,4R,5R)-3-acetamido-4-[anilino(oxo)methoxy]-2-(methylthio)-5-[phenoxy(sulfanylidene)methoxy]cyclopentyl] ester IUPAC Name: [(1R,2R,3S,4R,5R)-3-acetamido-2-methylsulfanyl-5-phenoxycarbothioyloxy-4-(phenylcarbamoyloxy)cyclopentyl] acetate Traditional Name: acetic acid [(1R,2R,3S,4R,5R)-3-acetamido-2-(methylthio)-5-phenoxycarbothioyloxy-4-(phenylcarbamoyloxy)cyclopentyl] ester Formula: C24H26N2O7S2 MolecularWeight: 518.60244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(C1SC)OC(=O)C)OC(=S)OC2=CC=CC=C2)OC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@H]1[C@H]([C@H]([C@H]([C@@H]1SC)OC(=O)C)OC(=S)OC2=CC=CC=C2)OC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C24H26N2O7S2/c1-14(27)25-18-19(32-23(29)26-16-10-6-4-7-11-16)20(21(22(18)35-3)30-15(2)28)33-24(34)31-17-12-8-5-9-13-17/h4-13,18-22H,1-3H3,(H,25,27)(H,26,29)/t18-,19+,20+,21+,22+/m0/s1