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

Systemtic Name: methyl 3,4-diethyl-2-sulfanylidene-6-[4-(thiophen-2-ylcarbonylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3,4-diethyl-6-[4-(thiophene-2-carbonylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-diethyl-6-[4-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3,4-diethyl-2-sulfanylidene-6-[4-(thiophene-2-carbonylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3,4-diethyl-6-[4-(2-thenoylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(NC(=S)N1CC)C2=CC=C(C=C2)NC(=O)C3=CC=CS3)C(=O)OC

Isomeric SMILES

CCC1=C(C(NC(=S)N1CC)C2=CC=C(C=C2)NC(=O)C3=CC=CS3)C(=O)OC

InChI

InChI=1S/C21H23N3O3S2/c1-4-15-17(20(26)27-3)18(23-21(28)24(15)5-2)13-8-10-14(11-9-13)22-19(25)16-7-6-12-29-16/h6-12,18H,4-5H2,1-3H3,(H,22,25)(H,23,28)