methyl 3-ethyl-4-methyl-2-sulfanylidene-6-[3-(thiophen-2-ylcarbonylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 3-ethyl-4-methyl-2-sulfanylidene-6-[3-(thiophen-2-ylcarbonylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-ethyl-4-methyl-6-[3-(thiophene-2-carbonylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-methyl-6-[3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-ethyl-4-methyl-2-sulfanylidene-6-[3-(thiophene-2-carbonylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-4-methyl-6-[3-(2-thenoylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)C2=CC(=CC=C2)NC(=O)C3=CC=CS3)C(=O)OC)C

Isomeric SMILES

CCN1C(=C(C(NC1=S)C2=CC(=CC=C2)NC(=O)C3=CC=CS3)C(=O)OC)C

InChI

InChI=1S/C20H21N3O3S2/c1-4-23-12(2)16(19(25)26-3)17(22-20(23)27)13-7-5-8-14(11-13)21-18(24)15-9-6-10-28-15/h5-11,17H,4H2,1-3H3,(H,21,24)(H,22,27)