methyl 5-[(4-bromophenyl)amino]-4,7-bis(oxidanylidene)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[(4-bromophenyl)amino]-4,7-bis(oxidanylidene)-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-(4-bromoanilino)-4,7-dioxo-benzothiophene-2-carboxylate CAS Name: 5-(4-bromoanilino)-4,7-dioxo-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-(4-bromoanilino)-4,7-dioxo-1-benzothiophene-2-carboxylate Traditional Name: 5-(4-bromoanilino)-4,7-diketo-benzothiophene-2-carboxylic acid methyl ester Formula: C16H10BrNO4S MolecularWeight: 392.2239

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(S1)C(=O)C=C(C2=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=CC2=C(S1)C(=O)C=C(C2=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C16H10BrNO4S/c1-22-16(21)13-6-10-14(20)11(7-12(19)15(10)23-13)18-9-4-2-8(17)3-5-9/h2-7,18H,1H3