2-thiophen-3-ylethyl 6-methyl-4-(phenylmethoxymethyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-thiophen-3-ylethyl 6-methyl-4-(phenylmethoxymethyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-(3-thienyl)ethyl 4-(benzyloxymethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-(phenylmethoxymethyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(3-thiophenyl)ethyl ester IUPAC Name: 2-thiophen-3-ylethyl 6-methyl-4-(phenylmethoxymethyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(benzoxymethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(3-thienyl)ethyl ester Formula: C20H22N2O3S2 MolecularWeight: 402.53028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)COCC2=CC=CC=C2)C(=O)OCCC3=CSC=C3

Isomeric SMILES

CC1=C(C(NC(=S)N1)COCC2=CC=CC=C2)C(=O)OCCC3=CSC=C3

InChI

InChI=1S/C20H22N2O3S2/c1-14-18(19(23)25-9-7-16-8-10-27-13-16)17(22-20(26)21-14)12-24-11-15-5-3-2-4-6-15/h2-6,8,10,13,17H,7,9,11-12H2,1H3,(H2,21,22,26)