ethyl 4-[[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-yl-ethyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-yl-ethyl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[2-(4-chlorophenyl)sulfonyl-2-(2-thienyl)ethyl]amino]-4-oxo-butanoate CAS Name: 4-[[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]amino]-4-oxobutanoate Traditional Name: 4-[[2-(4-chlorophenyl)sulfonyl-2-(2-thienyl)ethyl]amino]-4-keto-butyric acid ethyl ester Formula: C18H20ClNO5S2 MolecularWeight: 429.9381

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NCC(C1=CC=CS1)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)CCC(=O)NCC(C1=CC=CS1)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H20ClNO5S2/c1-2-25-18(22)10-9-17(21)20-12-16(15-4-3-11-26-15)27(23,24)14-7-5-13(19)6-8-14/h3-8,11,16H,2,9-10,12H2,1H3,(H,20,21)