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

Systemtic Name: ethyl 5-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C18H20BrNO3S2 MolecularWeight: 442.3903

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CSC2=C(C=C(C(=C2)C)Br)C)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CSC2=C(C=C(C(=C2)C)Br)C)C

InChI

InChI=1S/C18H20BrNO3S2/c1-5-23-18(22)17-12(4)8-16(25-17)20-15(21)9-24-14-7-10(2)13(19)6-11(14)3/h6-8H,5,9H2,1-4H3,(H,20,21)