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

Systemtic Name: 2-thiophen-3-ylethyl 6-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-(3-thienyl)ethyl 6-methyl-4-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(3-thiophenyl)ethyl ester IUPAC Name: 2-thiophen-3-ylethyl 6-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-4-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(3-thienyl)ethyl ester Formula: C18H18N2O2S2 MolecularWeight: 358.47772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O2S2/c1-12-15(17(21)22-9-7-13-8-10-24-11-13)16(20-18(23)19-12)14-5-3-2-4-6-14/h2-6,8,10-11,16H,7,9H2,1H3,(H2,19,20,23)