methyl (4S,7aR)-1-(4-methoxyphenyl)-3-oxidanyl-2-oxidanylidene-6-phenyl-4,7a-dihydrothiopyrano[4,3-b]pyrrole-4-carboxylate

Systemtic Name: methyl (4S,7aR)-1-(4-methoxyphenyl)-3-oxidanyl-2-oxidanylidene-6-phenyl-4,7a-dihydrothiopyrano[4,3-b]pyrrole-4-carboxylate Openeye Name: methyl (4S,7aR)-3-hydroxy-1-(4-methoxyphenyl)-2-oxo-6-phenyl-4,7a-dihydrothiopyrano[4,3-b]pyrrole-4-carboxylate CAS Name: (4S,7aR)-3-hydroxy-1-(4-methoxyphenyl)-2-oxo-6-phenyl-4,7a-dihydrothiopyrano[4,3-b]pyrrole-4-carboxylic acid methyl ester IUPAC Name: methyl (4S,7aR)-3-hydroxy-1-(4-methoxyphenyl)-2-oxo-6-phenyl-4,7a-dihydrothiopyrano[4,3-b]pyrrole-4-carboxylate Traditional Name: (4S,7aR)-3-hydroxy-2-keto-1-(4-methoxyphenyl)-6-phenyl-4,7a-dihydrothiopyrano[4,3-b]pyrrole-4-carboxylic acid methyl ester Formula: C22H19NO5S MolecularWeight: 409.45496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3C=C(SC(C3=C(C2=O)O)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2[C@@H]3C=C(S[C@@H](C3=C(C2=O)O)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C22H19NO5S/c1-27-15-10-8-14(9-11-15)23-16-12-17(13-6-4-3-5-7-13)29-20(22(26)28-2)18(16)19(24)21(23)25/h3-12,16,20,24H,1-2H3/t16-,20+/m1/s1