2-[2-(2-chloranylethanoylamino)-4-(3,4-dimethylphenyl)-1,3-thiazol-5-yl]ethanoate

Systemtic Name: 2-[2-(2-chloranylethanoylamino)-4-(3,4-dimethylphenyl)-1,3-thiazol-5-yl]ethanoate Openeye Name: 2-[2-[(2-chloroacetyl)amino]-4-(3,4-dimethylphenyl)thiazol-5-yl]acetate CAS Name: 2-[2-[(2-chloro-1-oxoethyl)amino]-4-(3,4-dimethylphenyl)-5-thiazolyl]acetate IUPAC Name: 2-[2-[(2-chloroacetyl)amino]-4-(3,4-dimethylphenyl)-1,3-thiazol-5-yl]acetate Traditional Name: 2-[2-[(2-chloroacetyl)amino]-4-(3,4-dimethylphenyl)thiazol-5-yl]acetate Formula: C15H14ClN2O3S- MolecularWeight: 337.80126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(SC(=N2)NC(=O)CCl)CC(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(SC(=N2)NC(=O)CCl)CC(=O)[O-])C

InChI

InChI=1S/C15H15ClN2O3S/c1-8-3-4-10(5-9(8)2)14-11(6-13(20)21)22-15(18-14)17-12(19)7-16/h3-5H,6-7H2,1-2H3,(H,20,21)(H,17,18,19)/p-1