prop-2-enyl 2-[[(3-methoxycarbonylphenyl)amino]methyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: prop-2-enyl 2-[[(3-methoxycarbonylphenyl)amino]methyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: allyl 2-[(3-methoxycarbonylanilino)methyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-[(3-methoxycarbonylanilino)methyl]-1-pyrrolidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 2-[(3-methoxycarbonylanilino)methyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[(3-carbomethoxyanilino)methyl]-4-mercapto-pyrrolidine-1-carboxylic acid allyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NCC2CC(CN2C(=O)OCC=C)S

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NCC2CC(CN2C(=O)OCC=C)S

InChI

InChI=1S/C17H22N2O4S/c1-3-7-23-17(21)19-11-15(24)9-14(19)10-18-13-6-4-5-12(8-13)16(20)22-2/h3-6,8,14-15,18,24H,1,7,9-11H2,2H3