ethyl 6-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]thieno[2,3-b]pyrrole-5-carboxylate

Systemtic Name: ethyl 6-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]thieno[2,3-b]pyrrole-5-carboxylate Openeye Name: ethyl 6-[2-(4-bromoanilino)-2-oxo-ethyl]thieno[2,3-b]pyrrole-5-carboxylate CAS Name: 6-[2-(4-bromoanilino)-2-oxoethyl]-5-thieno[2,3-b]pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(4-bromoanilino)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate Traditional Name: 6-[2-(4-bromoanilino)-2-keto-ethyl]thieno[2,3-b]pyrrole-5-carboxylic acid ethyl ester Formula: C17H15BrN2O3S MolecularWeight: 407.2816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1CC(=O)NC3=CC=C(C=C3)Br)SC=C2

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1CC(=O)NC3=CC=C(C=C3)Br)SC=C2

InChI

InChI=1S/C17H15BrN2O3S/c1-2-23-17(22)14-9-11-7-8-24-16(11)20(14)10-15(21)19-13-5-3-12(18)4-6-13/h3-9H,2,10H2,1H3,(H,19,21)