ethyl 4-methyl-2-(pyrrolidin-1-ylcarbothioylsulfanylmethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-(pyrrolidin-1-ylcarbothioylsulfanylmethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-(pyrrolidine-1-carbothioylsulfanylmethyl)quinoline-3-carboxylate CAS Name: 4-methyl-2-[[[1-pyrrolidinyl(sulfanylidene)methyl]thio]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-(pyrrolidine-1-carbothioylsulfanylmethyl)quinoline-3-carboxylate Traditional Name: 4-methyl-2-[(pyrrolidine-1-carbothioylthio)methyl]quinoline-3-carboxylic acid ethyl ester Formula: C19H22N2O2S2 MolecularWeight: 374.52018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC(=S)N3CCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC(=S)N3CCCC3)C

InChI

InChI=1S/C19H22N2O2S2/c1-3-23-18(22)17-13(2)14-8-4-5-9-15(14)20-16(17)12-25-19(24)21-10-6-7-11-21/h4-5,8-9H,3,6-7,10-12H2,1-2H3