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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(NC(=S)N1)C2=CC=C(S2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC1=C([C@H](NC(=S)N1)C2=CC=C(S2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C18H18N2O2S2/c1-3-12-15(17(21)22-2)16(20-18(23)19-12)14-10-9-13(24-14)11-7-5-4-6-8-11/h4-10,16H,3H2,1-2H3,(H2,19,20,23)/t16-/m1/s1