[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-butylbenzoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-butylbenzoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C18H18N2O3S/c1-2-3-4-13-5-7-14(8-6-13)18(22)23-12-16(21)20-17-15(11-19)9-10-24-17/h5-10H,2-4,12H2,1H3,(H,20,21)