[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-(2,5-dimethylphenoxy)propanoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-(2,5-dimethylphenoxy)propanoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 3-(2,5-dimethylphenoxy)propanoate CAS Name: 3-(2,5-dimethylphenoxy)propanoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate Traditional Name: 3-(2,5-dimethylphenoxy)propionic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCC(=O)OCC(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCC(=O)OCC(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C18H18N2O4S/c1-12-3-4-13(2)15(9-12)23-7-5-17(22)24-11-16(21)20-18-14(10-19)6-8-25-18/h3-4,6,8-9H,5,7,11H2,1-2H3,(H,20,21)