methyl 2-[4-[(4-cyanophenyl)amino]-4-oxidanylidene-butyl]sulfanylethanoate

Systemtic Name: methyl 2-[4-[(4-cyanophenyl)amino]-4-oxidanylidene-butyl]sulfanylethanoate Openeye Name: methyl 2-[4-(4-cyanoanilino)-4-oxo-butyl]sulfanylacetate CAS Name: 2-[[4-(4-cyanoanilino)-4-oxobutyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[4-(4-cyanoanilino)-4-oxobutyl]sulfanylacetate Traditional Name: 2-[[4-(4-cyanoanilino)-4-keto-butyl]thio]acetic acid methyl ester Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCCCC(=O)NC1=CC=C(C=C1)C#N

Isomeric SMILES

COC(=O)CSCCCC(=O)NC1=CC=C(C=C1)C#N

InChI

InChI=1S/C14H16N2O3S/c1-19-14(18)10-20-8-2-3-13(17)16-12-6-4-11(9-15)5-7-12/h4-7H,2-3,8,10H2,1H3,(H,16,17)