[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 4-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 4-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-(4-bromoanilino)-2-oxo-ethyl] 4-(thiophene-2-carbonylamino)benzoate CAS Name: 4-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-(4-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromoanilino)-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate Traditional Name: 4-(2-thenoylamino)benzoic acid [2-(4-bromoanilino)-2-keto-ethyl] ester Formula: C20H15BrN2O4S MolecularWeight: 459.3131

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H15BrN2O4S/c21-14-5-9-15(10-6-14)22-18(24)12-27-20(26)13-3-7-16(8-4-13)23-19(25)17-2-1-11-28-17/h1-11H,12H2,(H,22,24)(H,23,25)