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

Systemtic Name: methyl 4-phenyl-2-(pyrrolidin-1-ylcarbothioylsulfanylmethyl)quinoline-3-carboxylate Openeye Name: methyl 4-phenyl-2-(pyrrolidine-1-carbothioylsulfanylmethyl)quinoline-3-carboxylate CAS Name: 4-phenyl-2-[[[1-pyrrolidinyl(sulfanylidene)methyl]thio]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-phenyl-2-(pyrrolidine-1-carbothioylsulfanylmethyl)quinoline-3-carboxylate Traditional Name: 4-phenyl-2-[(pyrrolidine-1-carbothioylthio)methyl]quinoline-3-carboxylic acid methyl ester Formula: C23H22N2O2S2 MolecularWeight: 422.56298

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N=C1CSC(=S)N3CCCC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N=C1CSC(=S)N3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H22N2O2S2/c1-27-22(26)21-19(15-29-23(28)25-13-7-8-14-25)24-18-12-6-5-11-17(18)20(21)16-9-3-2-4-10-16/h2-6,9-12H,7-8,13-15H2,1H3