(4-pyrrolidin-1-ylcarbothioylphenyl) 2-methylbenzoate

Systemtic Name: (4-pyrrolidin-1-ylcarbothioylphenyl) 2-methylbenzoate Openeye Name: [4-(pyrrolidine-1-carbothioyl)phenyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [4-[1-pyrrolidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-(pyrrolidine-1-carbothioyl)phenyl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [4-(pyrrolidine-1-carbothioyl)phenyl] ester Formula: C19H19NO2S MolecularWeight: 325.42466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)C(=S)N3CCCC3

Isomeric SMILES

CC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)C(=S)N3CCCC3

InChI

InChI=1S/C19H19NO2S/c1-14-6-2-3-7-17(14)19(21)22-16-10-8-15(9-11-16)18(23)20-12-4-5-13-20/h2-3,6-11H,4-5,12-13H2,1H3