[1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-propoxybenzoate

Systemtic Name: [1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-propoxybenzoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C18H18N2O4S/c1-3-9-23-15-6-4-13(5-7-15)18(22)24-12(2)16(21)20-17-14(11-19)8-10-25-17/h4-8,10,12H,3,9H2,1-2H3,(H,20,21)