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

Systemtic Name: propan-2-yl 5-[(3-bromophenyl)carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 5-[(3-bromobenzoyl)amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[(3-bromobenzoyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid isopropyl ester Formula: C17H15BrN2O3S MolecularWeight: 407.2816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=CC=C2)Br)C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=CC=C2)Br)C(=O)OC(C)C

InChI

InChI=1S/C17H15BrN2O3S/c1-9(2)23-17(22)14-10(3)13(8-19)16(24-14)20-15(21)11-5-4-6-12(18)7-11/h4-7,9H,1-3H3,(H,20,21)