(3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-(4-chloroanilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(4-chloroanilino)-2-oxoethyl]thio]acetic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(4-chloroanilino)-2-keto-ethyl]thio]acetic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C16H20ClNO4S MolecularWeight: 357.8523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)CSCC(=O)NC1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)CSCC(=O)NC1=CC=C(C=C1)Cl

InChI

InChI=1S/C16H20ClNO4S/c1-16(2,3)13(19)8-22-15(21)10-23-9-14(20)18-12-6-4-11(17)5-7-12/h4-7H,8-10H2,1-3H3,(H,18,20)