ethyl 2-oxidanylidene-4-phenyl-6-(pyrrolidin-1-ylcarbothioylsulfanylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-oxidanylidene-4-phenyl-6-(pyrrolidin-1-ylcarbothioylsulfanylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-oxo-4-phenyl-6-(pyrrolidine-1-carbothioylsulfanylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-oxo-4-phenyl-6-[[[1-pyrrolidinyl(sulfanylidene)methyl]thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-4-phenyl-6-(pyrrolidine-1-carbothioylsulfanylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-4-phenyl-6-[(pyrrolidine-1-carbothioylthio)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H23N3O3S2 MolecularWeight: 405.53422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CSC(=S)N3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CSC(=S)N3CCCC3

InChI

InChI=1S/C19H23N3O3S2/c1-2-25-17(23)15-14(12-27-19(26)22-10-6-7-11-22)20-18(24)21-16(15)13-8-4-3-5-9-13/h3-5,8-9,16H,2,6-7,10-12H2,1H3,(H2,20,21,24)