ethyl 4-methyl-6-phenyl-3-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-methyl-6-phenyl-3-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-methyl-6-phenyl-3-propyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-methyl-6-phenyl-3-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-6-phenyl-3-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-methyl-6-phenyl-3-propyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(NC1=S)C2=CC=CC=C2)C(=O)OCC)C

Isomeric SMILES

CCCN1C(=C(C(NC1=S)C2=CC=CC=C2)C(=O)OCC)C

InChI

InChI=1S/C17H22N2O2S/c1-4-11-19-12(3)14(16(20)21-5-2)15(18-17(19)22)13-9-7-6-8-10-13/h6-10,15H,4-5,11H2,1-3H3,(H,18,22)