methyl 4-[(E)-2-cyano-3-oxidanylidene-3-(thiophen-2-ylmethylamino)prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-2-cyano-3-oxidanylidene-3-(thiophen-2-ylmethylamino)prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-2-cyano-3-oxo-3-(2-thienylmethylamino)prop-1-enyl]benzoate CAS Name: 4-[(E)-2-cyano-3-oxo-3-(thiophen-2-ylmethylamino)prop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-cyano-3-oxo-3-(thiophen-2-ylmethylamino)prop-1-enyl]benzoate Traditional Name: 4-[(E)-2-cyano-3-keto-3-(2-thenylamino)prop-1-enyl]benzoic acid methyl ester Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=C(C#N)C(=O)NCC2=CC=CS2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)NCC2=CC=CS2

InChI

InChI=1S/C17H14N2O3S/c1-22-17(21)13-6-4-12(5-7-13)9-14(10-18)16(20)19-11-15-3-2-8-23-15/h2-9H,11H2,1H3,(H,19,20)/b14-9+