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

Systemtic Name: methyl 2-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]amino]thiazole-5-carboxylate CAS Name: 2-[[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]amino]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]amino]thiazole-5-carboxylic acid methyl ester Formula: C15H15BrN2O3S2 MolecularWeight: 415.3252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NC2=NC=C(S2)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NC2=NC=C(S2)C(=O)OC

InChI

InChI=1S/C15H15BrN2O3S2/c1-8-5-11(9(2)4-10(8)16)22-7-13(19)18-15-17-6-12(23-15)14(20)21-3/h4-6H,7H2,1-3H3,(H,17,18,19)