methyl 3-[2-(4-bromophenyl)sulfanylethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[2-(4-bromophenyl)sulfanylethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[[2-(4-bromophenyl)sulfanylacetyl]amino]benzothiophene-2-carboxylate CAS Name: 3-[[2-[(4-bromophenyl)thio]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-[[2-[(4-bromophenyl)thio]acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C18H14BrNO3S2 MolecularWeight: 436.34266

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)CSC3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)CSC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H14BrNO3S2/c1-23-18(22)17-16(13-4-2-3-5-14(13)25-17)20-15(21)10-24-12-8-6-11(19)7-9-12/h2-9H,10H2,1H3,(H,20,21)