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

Systemtic Name: methyl 4-[[4-[2-cyano-3-oxidanylidene-3-(1,3-thiazol-2-ylamino)prop-1-enyl]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[4-[2-cyano-3-oxo-3-(thiazol-2-ylamino)prop-1-enyl]phenoxy]methyl]benzoate CAS Name: 4-[[4-[2-cyano-3-oxo-3-(2-thiazolylamino)prop-1-enyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[2-cyano-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]phenoxy]methyl]benzoate Traditional Name: 4-[[4-[2-cyano-3-keto-3-(thiazol-2-ylamino)prop-1-enyl]phenoxy]methyl]benzoic acid methyl ester Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=NC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=NC=CS3

InChI

InChI=1S/C22H17N3O4S/c1-28-21(27)17-6-2-16(3-7-17)14-29-19-8-4-15(5-9-19)12-18(13-23)20(26)25-22-24-10-11-30-22/h2-12H,14H2,1H3,(H,24,25,26)