[4-[(E)-2-cyano-3-oxidanylidene-3-(1,3-thiazol-2-ylamino)prop-1-enyl]-2-methoxy-phenyl] 4-methoxybenzoate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-(1,3-thiazol-2-ylamino)prop-1-enyl]-2-methoxy-phenyl] 4-methoxybenzoate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-(thiazol-2-ylamino)prop-1-enyl]-2-methoxy-phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-[(E)-2-cyano-3-oxo-3-(2-thiazolylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[(E)-2-cyano-3-keto-3-(thiazol-2-ylamino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C22H17N3O5S MolecularWeight: 435.45248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NC3=NC=CS3)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NC3=NC=CS3)OC

InChI

InChI=1S/C22H17N3O5S/c1-28-17-6-4-15(5-7-17)21(27)30-18-8-3-14(12-19(18)29-2)11-16(13-23)20(26)25-22-24-9-10-31-22/h3-12H,1-2H3,(H,24,25,26)/b16-11+