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

Systemtic Name: methyl 3-[2-(4-bromophenyl)sulfanylethanoylamino]-4-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4-chloro-benzothiophene-2-carboxylate CAS Name: 3-[[2-[(4-bromophenyl)thio]-1-oxoethyl]amino]-4-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-[[2-[(4-bromophenyl)thio]acetyl]amino]-4-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C18H13BrClNO3S2 MolecularWeight: 470.78772

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=CC=C2Cl)NC(=O)CSC3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=CC=C2Cl)NC(=O)CSC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H13BrClNO3S2/c1-24-18(23)17-16(15-12(20)3-2-4-13(15)26-17)21-14(22)9-25-11-7-5-10(19)6-8-11/h2-8H,9H2,1H3,(H,21,22)