ethyl 6-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(3,4-difluorophenyl)sulfanylmethyl]-2-oxo-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(3,4-difluorophenyl)thio]methyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(3,4-difluorophenyl)sulfanylmethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(3,4-difluorophenyl)thio]methyl]-2-keto-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H16F2N2O3S2 MolecularWeight: 410.458046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)CSC3=CC(=C(C=C3)F)F

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)CSC3=CC(=C(C=C3)F)F

InChI

InChI=1S/C18H16F2N2O3S2/c1-2-25-17(23)15-13(9-27-10-5-6-11(19)12(20)8-10)21-18(24)22-16(15)14-4-3-7-26-14/h3-8,16H,2,9H2,1H3,(H2,21,22,24)