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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=C(C=C2)NC(=O)C3=CC=CS3)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=C(C=C2)NC(=O)C3=CC=CS3)C)C

InChI

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