ethyl (2S,4R)-5-(4-methoxy-4-oxidanylidene-butyl)sulfanyl-4-propan-2-yl-3,4-dihydro-2H-pyrrole-2-carboxylate

Systemtic Name: ethyl (2S,4R)-5-(4-methoxy-4-oxidanylidene-butyl)sulfanyl-4-propan-2-yl-3,4-dihydro-2H-pyrrole-2-carboxylate Openeye Name: ethyl (2S,4R)-4-isopropyl-5-(4-methoxy-4-oxo-butyl)sulfanyl-3,4-dihydro-2H-pyrrole-2-carboxylate CAS Name: (2S,4R)-5-[(4-methoxy-4-oxobutyl)thio]-4-propan-2-yl-3,4-dihydro-2H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl (2S,4R)-5-(4-methoxy-4-oxobutyl)sulfanyl-4-propan-2-yl-3,4-dihydro-2H-pyrrole-2-carboxylate Traditional Name: (2S,4R)-4-isopropyl-5-[(4-keto-4-methoxy-butyl)thio]-1-pyrroline-2-carboxylic acid ethyl ester Formula: C15H25NO4S MolecularWeight: 315.4283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(C(=N1)SCCCC(=O)OC)C(C)C

Isomeric SMILES

CCOC(=O)[C@@H]1C[C@@H](C(=N1)SCCCC(=O)OC)C(C)C

InChI

InChI=1S/C15H25NO4S/c1-5-20-15(18)12-9-11(10(2)3)14(16-12)21-8-6-7-13(17)19-4/h10-12H,5-9H2,1-4H3/t11-,12+/m1/s1