[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] pentanoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] pentanoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] pentanoate CAS Name: pentanoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] pentanoate Traditional Name: valeric acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C12H14N2O3S MolecularWeight: 266.31616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OCC(=O)NC1=C(C=CS1)C#N

Isomeric SMILES

CCCCC(=O)OCC(=O)NC1=C(C=CS1)C#N

InChI

InChI=1S/C12H14N2O3S/c1-2-3-4-11(16)17-8-10(15)14-12-9(7-13)5-6-18-12/h5-6H,2-4,8H2,1H3,(H,14,15)