ethyl 5-[(3-bromophenyl)carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[(3-bromophenyl)carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[(3-bromobenzoyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[(3-bromophenyl)-oxomethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-bromobenzoyl)amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[(3-bromobenzoyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C16H13BrN2O3S MolecularWeight: 393.25502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=CC=C2)Br)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=CC=C2)Br)C#N)C

InChI

InChI=1S/C16H13BrN2O3S/c1-3-22-16(21)13-9(2)12(8-18)15(23-13)19-14(20)10-5-4-6-11(17)7-10/h4-7H,3H2,1-2H3,(H,19,20)