methyl 4-[2,5-dimethyl-3-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoyl)pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[2,5-dimethyl-3-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoyl)pyrrol-1-yl]benzoate Openeye Name: methyl 4-[2,5-dimethyl-3-[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]pyrrol-1-yl]benzoate CAS Name: 4-[2,5-dimethyl-3-[1-oxo-2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]ethyl]-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2,5-dimethyl-3-[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]pyrrol-1-yl]benzoate Traditional Name: 4-[2,5-dimethyl-3-[2-(pyrrolidine-1-carbothioylthio)acetyl]pyrrol-1-yl]benzoic acid methyl ester Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)CSC(=S)N3CCCC3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)CSC(=S)N3CCCC3

InChI

InChI=1S/C21H24N2O3S2/c1-14-12-18(19(24)13-28-21(27)22-10-4-5-11-22)15(2)23(14)17-8-6-16(7-9-17)20(25)26-3/h6-9,12H,4-5,10-11,13H2,1-3H3