ethyl 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-oxo-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-2-keto-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H20N2O5S2 MolecularWeight: 432.5132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)CSC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)CSC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H20N2O5S2/c1-2-25-19(23)17-13(21-20(24)22-18(17)16-4-3-9-28-16)11-29-12-5-6-14-15(10-12)27-8-7-26-14/h3-6,9-10,18H,2,7-8,11H2,1H3,(H2,21,22,24)