methyl 3-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C15H14BrNO3S2 MolecularWeight: 400.31056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NC2=C(SC=C2)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NC2=C(SC=C2)C(=O)OC

InChI

InChI=1S/C15H14BrNO3S2/c1-9-7-10(16)3-4-12(9)22-8-13(18)17-11-5-6-21-14(11)15(19)20-2/h3-7H,8H2,1-2H3,(H,17,18)