(2-methoxy-4-pyrrolidin-1-ylcarbothioyl-phenyl) 4-methylbenzenesulfonate

Systemtic Name: (2-methoxy-4-pyrrolidin-1-ylcarbothioyl-phenyl) 4-methylbenzenesulfonate Openeye Name: [2-methoxy-4-(pyrrolidine-1-carbothioyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-methoxy-4-[1-pyrrolidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-(pyrrolidine-1-carbothioyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-methoxy-4-(pyrrolidine-1-carbothioyl)phenyl] ester Formula: C19H21NO4S2 MolecularWeight: 391.50434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C(=S)N3CCCC3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C(=S)N3CCCC3)OC

InChI

InChI=1S/C19H21NO4S2/c1-14-5-8-16(9-6-14)26(21,22)24-17-10-7-15(13-18(17)23-2)19(25)20-11-3-4-12-20/h5-10,13H,3-4,11-12H2,1-2H3