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

Systemtic Name: ethyl 4-(1H-indol-3-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(1H-indol-3-yl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(1H-indol-3-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(1H-indol-3-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(1H-indol-3-yl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CNC3=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=CNC3=CC=CC=C32)C

InChI

InChI=1S/C16H17N3O2S/c1-3-21-15(20)13-9(2)18-16(22)19-14(13)11-8-17-12-7-5-4-6-10(11)12/h4-8,14,17H,3H2,1-2H3,(H2,18,19,22)