ethyl 6-(1,3-benzodioxol-5-yl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC3=C(C=C2)OCO3)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)NC1C2=CC3=C(C=C2)OCO3)C)C

InChI

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