ethyl 6-methyl-4-[5-methyl-4-[(phenylmethylsulfanyl)methyl]thiophen-2-yl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-methyl-4-[5-methyl-4-[(phenylmethylsulfanyl)methyl]thiophen-2-yl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(benzylsulfanylmethyl)-5-methyl-2-thienyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-[5-methyl-4-[(phenylmethylthio)methyl]-2-thiophenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(benzylsulfanylmethyl)-5-methylthiophen-2-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[4-[(benzylthio)methyl]-5-methyl-2-thienyl]-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(S2)C)CSCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(S2)C)CSCC3=CC=CC=C3)C

InChI

InChI=1S/C21H24N2O3S2/c1-4-26-20(24)18-13(2)22-21(25)23-19(18)17-10-16(14(3)28-17)12-27-11-15-8-6-5-7-9-15/h5-10,19H,4,11-12H2,1-3H3,(H2,22,23,25)