methyl 4-methyl-3-phenyl-2-sulfanylidene-6-thiophen-2-yl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 4-methyl-3-phenyl-2-sulfanylidene-6-thiophen-2-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 4-methyl-3-phenyl-6-(2-thienyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-methyl-3-phenyl-2-sulfanylidene-6-thiophen-2-yl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-methyl-3-phenyl-2-sulfanylidene-6-thiophen-2-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-methyl-3-phenyl-6-(2-thienyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C17H16N2O2S2 MolecularWeight: 344.45114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC=CC=C2)C3=CC=CS3)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=S)N1C2=CC=CC=C2)C3=CC=CS3)C(=O)OC

InChI

InChI=1S/C17H16N2O2S2/c1-11-14(16(20)21-2)15(13-9-6-10-23-13)18-17(22)19(11)12-7-4-3-5-8-12/h3-10,15H,1-2H3,(H,18,22)