[4-[(E)-2-cyano-3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] ethanoate

Systemtic Name: [4-[(E)-2-cyano-3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] ethanoate Openeye Name: [4-[(E)-2-cyano-3-[(3-cyano-2-thienyl)amino]-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] acetate CAS Name: acetic acid [4-[(E)-2-cyano-3-[(3-cyano-2-thiophenyl)amino]-3-oxoprop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-[(3-cyanothiophen-2-yl)amino]-3-oxoprop-1-enyl]-2-ethoxyphenyl] acetate Traditional Name: acetic acid [4-[(E)-2-cyano-3-[(3-cyano-2-thienyl)amino]-3-keto-prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C19H15N3O4S MolecularWeight: 381.4051

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=C(C=CS2)C#N)OC(=O)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=C(C=CS2)C#N)OC(=O)C

InChI

InChI=1S/C19H15N3O4S/c1-3-25-17-9-13(4-5-16(17)26-12(2)23)8-15(11-21)18(24)22-19-14(10-20)6-7-27-19/h4-9H,3H2,1-2H3,(H,22,24)/b15-8+