[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: [2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Openeye Name: [2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl] 2-(allylamino)thiazole-4-carboxylate CAS Name: 2-(prop-2-enylamino)-4-thiazolecarboxylic acid [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(allylamino)thiazole-4-carboxylic acid [2-[(4-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C16H16ClN3O3S MolecularWeight: 365.83454

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=CS1)C(=O)OCC(=O)NCC2=CC=C(C=C2)Cl

Isomeric SMILES

C=CCNC1=NC(=CS1)C(=O)OCC(=O)NCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H16ClN3O3S/c1-2-7-18-16-20-13(10-24-16)15(22)23-9-14(21)19-8-11-3-5-12(17)6-4-11/h2-6,10H,1,7-9H2,(H,18,20)(H,19,21)