[2-[cyclohexyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: [2-[cyclohexyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Openeye Name: [2-(N-cyclohexylanilino)-2-oxo-ethyl] 2-(allylamino)thiazole-4-carboxylate CAS Name: 2-(prop-2-enylamino)-4-thiazolecarboxylic acid [2-(N-cyclohexylanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-cyclohexylanilino)-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(allylamino)thiazole-4-carboxylic acid [2-(N-cyclohexylanilino)-2-keto-ethyl] ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=CS1)C(=O)OCC(=O)N(C2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

C=CCNC1=NC(=CS1)C(=O)OCC(=O)N(C2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3S/c1-2-13-22-21-23-18(15-28-21)20(26)27-14-19(25)24(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h2-3,5-6,9-10,15,17H,1,4,7-8,11-14H2,(H,22,23)