methyl 4-[(E)-2-cyano-3-oxidanylidene-3-(1,3-thiazol-2-ylamino)prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-2-cyano-3-oxidanylidene-3-(1,3-thiazol-2-ylamino)prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-2-cyano-3-oxo-3-(thiazol-2-ylamino)prop-1-enyl]benzoate CAS Name: 4-[(E)-2-cyano-3-oxo-3-(2-thiazolylamino)prop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-cyano-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]benzoate Traditional Name: 4-[(E)-2-cyano-3-keto-3-(thiazol-2-ylamino)prop-1-enyl]benzoic acid methyl ester Formula: C15H11N3O3S MolecularWeight: 313.33114

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=C(C#N)C(=O)NC2=NC=CS2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=NC=CS2

InChI

InChI=1S/C15H11N3O3S/c1-21-14(20)11-4-2-10(3-5-11)8-12(9-16)13(19)18-15-17-6-7-22-15/h2-8H,1H3,(H,17,18,19)/b12-8+