5-[[3-cyano-4-(2,4-dichlorophenyl)-5-methyl-thiophen-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[3-cyano-4-(2,4-dichlorophenyl)-5-methyl-thiophen-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[3-cyano-4-(2,4-dichlorophenyl)-5-methyl-2-thienyl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[3-cyano-4-(2,4-dichlorophenyl)-5-methyl-2-thiophenyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[3-cyano-4-(2,4-dichlorophenyl)-5-methylthiophen-2-yl]amino]-5-oxopentanoic acid Traditional Name: 5-[[3-cyano-4-(2,4-dichlorophenyl)-5-methyl-2-thienyl]amino]-5-keto-valeric acid Formula: C17H14Cl2N2O3S MolecularWeight: 397.27566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)CCCC(=O)O)C#N)C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)CCCC(=O)O)C#N)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C17H14Cl2N2O3S/c1-9-16(11-6-5-10(18)7-13(11)19)12(8-20)17(25-9)21-14(22)3-2-4-15(23)24/h5-7H,2-4H2,1H3,(H,21,22)(H,23,24)