5-[[3-cyano-5-methyl-4-(4-methylphenyl)thiophen-2-yl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[[3-cyano-5-methyl-4-(4-methylphenyl)thiophen-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[[3-cyano-5-methyl-4-(p-tolyl)-2-thienyl]amino]-5-oxo-pentanoate CAS Name: 5-[[3-cyano-5-methyl-4-(4-methylphenyl)-2-thiophenyl]amino]-5-oxopentanoate IUPAC Name: 5-[[3-cyano-5-methyl-4-(4-methylphenyl)thiophen-2-yl]amino]-5-oxopentanoate Traditional Name: 5-[[3-cyano-5-methyl-4-(p-tolyl)-2-thienyl]amino]-5-keto-valerate Formula: C18H17N2O3S- MolecularWeight: 341.40418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)CCCC(=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)CCCC(=O)[O-])C

InChI

InChI=1S/C18H18N2O3S/c1-11-6-8-13(9-7-11)17-12(2)24-18(14(17)10-19)20-15(21)4-3-5-16(22)23/h6-9H,3-5H2,1-2H3,(H,20,21)(H,22,23)/p-1