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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CNC(=S)N1)C(=O)OCCC2=CNC3=CC=CC=C32

Isomeric SMILES

CC1=C(CNC(=S)N1)C(=O)OCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C16H17N3O2S/c1-10-13(9-18-16(22)19-10)15(20)21-7-6-11-8-17-14-5-3-2-4-12(11)14/h2-5,8,17H,6-7,9H2,1H3,(H2,18,19,22)