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

Systemtic Name: ethyl 2-[(3-bromophenyl)carbonylamino]-4-methyl-5-propanoyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(3-bromobenzoyl)amino]-4-methyl-5-propanoyl-thiophene-3-carboxylate CAS Name: 2-[[(3-bromophenyl)-oxomethyl]amino]-4-methyl-5-(1-oxopropyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-bromobenzoyl)amino]-4-methyl-5-propanoylthiophene-3-carboxylate Traditional Name: 2-[(3-bromobenzoyl)amino]-4-methyl-5-propionyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H18BrNO4S MolecularWeight: 424.30882

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=CC=C2)Br)C(=O)OCC)C

Isomeric SMILES

CCC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=CC=C2)Br)C(=O)OCC)C

InChI

InChI=1S/C18H18BrNO4S/c1-4-13(21)15-10(3)14(18(23)24-5-2)17(25-15)20-16(22)11-7-6-8-12(19)9-11/h6-9H,4-5H2,1-3H3,(H,20,22)