ethyl 2-[(3-bromophenyl)carbonylamino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3-bromophenyl)carbonylamino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(3-bromobenzoyl)amino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[(3-bromophenyl)-oxomethyl]amino]-4-(4-ethoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-bromobenzoyl)amino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[(3-bromobenzoyl)amino]-4-p-phenetyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H20BrNO4S MolecularWeight: 474.3675

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C22H20BrNO4S/c1-3-27-17-10-8-14(9-11-17)18-13-29-21(19(18)22(26)28-4-2)24-20(25)15-6-5-7-16(23)12-15/h5-13H,3-4H2,1-2H3,(H,24,25)