methyl 2-[4-[(3-cyanophenyl)amino]-4-oxidanylidene-butyl]sulfanylethanoate

Systemtic Name: methyl 2-[4-[(3-cyanophenyl)amino]-4-oxidanylidene-butyl]sulfanylethanoate Openeye Name: methyl 2-[4-(3-cyanoanilino)-4-oxo-butyl]sulfanylacetate CAS Name: 2-[[4-(3-cyanoanilino)-4-oxobutyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[4-(3-cyanoanilino)-4-oxobutyl]sulfanylacetate Traditional Name: 2-[[4-(3-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=CC(=C1)C#N

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O3S/c1-19-14(18)10-20-7-3-6-13(17)16-12-5-2-4-11(8-12)9-15/h2,4-5,8H,3,6-7,10H2,1H3,(H,16,17)