4-[(6S)-5-methoxycarbonyl-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoic acid

Systemtic Name: 4-[(6S)-5-methoxycarbonyl-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoic acid Openeye Name: 4-[(6S)-5-methoxycarbonyl-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoic acid CAS Name: 4-[(6S)-5-methoxycarbonyl-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoic acid IUPAC Name: 4-[(6S)-5-methoxycarbonyl-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoic acid Traditional Name: 4-[(6S)-5-carbomethoxy-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoic acid Formula: C20H18N2O4S MolecularWeight: 382.43292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O)C(=O)OC

Isomeric SMILES

CC1=C([C@@H](NC(=S)N1C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O)C(=O)OC

InChI

InChI=1S/C20H18N2O4S/c1-12-16(19(25)26-2)17(13-8-10-14(11-9-13)18(23)24)21-20(27)22(12)15-6-4-3-5-7-15/h3-11,17H,1-2H3,(H,21,27)(H,23,24)/t17-/m0/s1