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

Systemtic Name: 5-[[3-cyano-4-(4-methoxyphenyl)-5-methyl-thiophen-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[3-cyano-4-(4-methoxyphenyl)-5-methyl-2-thienyl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[3-cyano-4-(4-methoxyphenyl)-5-methyl-2-thiophenyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[3-cyano-4-(4-methoxyphenyl)-5-methylthiophen-2-yl]amino]-5-oxopentanoic acid Traditional Name: 5-[[3-cyano-4-(4-methoxyphenyl)-5-methyl-2-thienyl]amino]-5-keto-valeric acid Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4S/c1-11-17(12-6-8-13(24-2)9-7-12)14(10-19)18(25-11)20-15(21)4-3-5-16(22)23/h6-9H,3-5H2,1-2H3,(H,20,21)(H,22,23)