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

Systemtic Name: [4-[2-cyano-3-oxidanylidene-3-(1,3-thiazol-2-ylamino)prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[2-cyano-3-oxo-3-(thiazol-2-ylamino)prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[2-cyano-3-oxo-3-(2-thiazolylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[2-cyano-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[2-cyano-3-keto-3-(thiazol-2-ylamino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C21H17N3O5S2 MolecularWeight: 455.50678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NC3=NC=CS3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NC3=NC=CS3)OC

InChI

InChI=1S/C21H17N3O5S2/c1-14-3-6-17(7-4-14)31(26,27)29-18-8-5-15(12-19(18)28-2)11-16(13-22)20(25)24-21-23-9-10-30-21/h3-12H,1-2H3,(H,23,24,25)