O1-tert-butyl O2-methyl (2S)-4-(4-chloranylphenoxy)carbothioyl-5-oxidanylidene-pyrrolidine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-methyl (2S)-4-(4-chloranylphenoxy)carbothioyl-5-oxidanylidene-pyrrolidine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-methyl (2S)-4-(4-chlorophenoxy)carbothioyl-5-oxo-pyrrolidine-1,2-dicarboxylate CAS Name: (2S)-4-[(4-chlorophenoxy)-sulfanylidenemethyl]-5-oxopyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester IUPAC Name: 1-O-tert-butyl 2-O-methyl (2S)-4-(4-chlorophenoxy)carbothioyl-5-oxopyrrolidine-1,2-dicarboxylate Traditional Name: (2S)-4-(4-chlorophenoxy)carbothioyl-5-keto-pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester Formula: C18H20ClNO6S MolecularWeight: 413.8725

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(CC(C1=O)C(=S)OC2=CC=C(C=C2)Cl)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@@H](CC(C1=O)C(=S)OC2=CC=C(C=C2)Cl)C(=O)OC

InChI

InChI=1S/C18H20ClNO6S/c1-18(2,3)26-17(23)20-13(15(22)24-4)9-12(14(20)21)16(27)25-11-7-5-10(19)6-8-11/h5-8,12-13H,9H2,1-4H3/t12?,13-/m0/s1