[2-(3-chloranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 2-[(phenylmethyl)amino]-1,3-thiazole-4-carboxylate

Systemtic Name: [2-(3-chloranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 2-[(phenylmethyl)amino]-1,3-thiazole-4-carboxylate Openeye Name: [2-(3-chloro-4-methoxy-phenyl)-2-oxo-ethyl] 2-(benzylamino)thiazole-4-carboxylate CAS Name: 2-[(phenylmethyl)amino]-4-thiazolecarboxylic acid [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(benzylamino)thiazole-4-carboxylic acid [2-(3-chloro-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C20H17ClN2O4S MolecularWeight: 416.87798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CSC(=N2)NCC3=CC=CC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CSC(=N2)NCC3=CC=CC=C3)Cl

InChI

InChI=1S/C20H17ClN2O4S/c1-26-18-8-7-14(9-15(18)21)17(24)11-27-19(25)16-12-28-20(23-16)22-10-13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3,(H,22,23)