methyl (3S,4R)-1-carbamothioyl-4-(3-cyclopentyloxy-4-methoxy-phenyl)pyrrolidine-3-carboxylate

Systemtic Name: methyl (3S,4R)-1-carbamothioyl-4-(3-cyclopentyloxy-4-methoxy-phenyl)pyrrolidine-3-carboxylate Openeye Name: methyl (3S,4R)-1-carbamothioyl-4-[3-(cyclopentoxy)-4-methoxy-phenyl]pyrrolidine-3-carboxylate CAS Name: (3S,4R)-1-carbamothioyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (3S,4R)-1-carbamothioyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylate Traditional Name: (3S,4R)-4-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-thiocarbamoyl-pyrrolidine-3-carboxylic acid methyl ester Formula: C19H26N2O4S MolecularWeight: 378.48574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CN(CC2C(=O)OC)C(=S)N)OC3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]2CN(C[C@H]2C(=O)OC)C(=S)N)OC3CCCC3

InChI

InChI=1S/C19H26N2O4S/c1-23-16-8-7-12(9-17(16)25-13-5-3-4-6-13)14-10-21(19(20)26)11-15(14)18(22)24-2/h7-9,13-15H,3-6,10-11H2,1-2H3,(H2,20,26)/t14-,15+/m0/s1