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

Systemtic Name: methyl 4-methyl-2-(pyrrolidin-1-ylcarbothioylsulfanylmethyl)quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-(pyrrolidine-1-carbothioylsulfanylmethyl)quinoline-3-carboxylate CAS Name: 4-methyl-2-[[[1-pyrrolidinyl(sulfanylidene)methyl]thio]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-(pyrrolidine-1-carbothioylsulfanylmethyl)quinoline-3-carboxylate Traditional Name: 4-methyl-2-[(pyrrolidine-1-carbothioylthio)methyl]quinoline-3-carboxylic acid methyl ester Formula: C18H20N2O2S2 MolecularWeight: 360.4936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC(=S)N3CCCC3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC(=S)N3CCCC3)C(=O)OC

InChI

InChI=1S/C18H20N2O2S2/c1-12-13-7-3-4-8-14(13)19-15(16(12)17(21)22-2)11-24-18(23)20-9-5-6-10-20/h3-4,7-8H,5-6,9-11H2,1-2H3