methyl 5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]-4,4-bis(sulfanyl)pyrrolidine-3-carboxylate

Systemtic Name: methyl 5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]-4,4-bis(sulfanyl)pyrrolidine-3-carboxylate Openeye Name: methyl 5-oxo-1-[(4-phenoxyphenyl)methyl]-4,4-bis(sulfanyl)pyrrolidine-3-carboxylate CAS Name: 4,4-dimercapto-5-oxo-1-[(4-phenoxyphenyl)methyl]-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 5-oxo-1-[(4-phenoxyphenyl)methyl]-4,4-bis(sulfanyl)pyrrolidine-3-carboxylate Traditional Name: 5-keto-4,4-dimercapto-1-(4-phenoxybenzyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C19H19NO4S2 MolecularWeight: 389.48846

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(C(=O)C1(S)S)CC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CN(C(=O)C1(S)S)CC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C19H19NO4S2/c1-23-17(21)16-12-20(18(22)19(16,25)26)11-13-7-9-15(10-8-13)24-14-5-3-2-4-6-14/h2-10,16,25-26H,11-12H2,1H3