methyl 2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]amino]thiazole-5-carboxylate CAS Name: 2-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]amino]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]amino]thiazole-5-carboxylic acid methyl ester Formula: C14H13BrN2O3S2 MolecularWeight: 401.29862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NC2=NC=C(S2)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NC2=NC=C(S2)C(=O)OC

InChI

InChI=1S/C14H13BrN2O3S2/c1-8-5-9(15)3-4-10(8)21-7-12(18)17-14-16-6-11(22-14)13(19)20-2/h3-6H,7H2,1-2H3,(H,16,17,18)