ethyl 6-methyl-4-(6-methyl-1,3-benzodioxol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-methyl-4-(6-methyl-1,3-benzodioxol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-methyl-4-(6-methyl-1,3-benzodioxol-5-yl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-(6-methyl-1,3-benzodioxol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-4-(6-methyl-1,3-benzodioxol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-4-(6-methyl-1,3-benzodioxol-5-yl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC3=C(C=C2C)OCO3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=CC3=C(C=C2C)OCO3)C

InChI

InChI=1S/C16H18N2O4S/c1-4-20-15(19)13-9(3)17-16(23)18-14(13)10-6-12-11(5-8(10)2)21-7-22-12/h5-6,14H,4,7H2,1-3H3,(H2,17,18,23)