ethyl 2-[(2-bromophenyl)carbamoylamino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-bromophenyl)carbamoylamino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-bromophenyl)carbamoylamino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(2-bromoanilino)-oxomethyl]amino]-4-(4-ethoxyphenyl)-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-bromophenyl)carbamoylamino]-4-(4-ethoxyphenyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-[(2-bromophenyl)carbamoylamino]-5-methyl-4-p-phenetyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H23BrN2O4S MolecularWeight: 503.40872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OCC)NC(=O)NC3=CC=CC=C3Br)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OCC)NC(=O)NC3=CC=CC=C3Br)C

InChI

InChI=1S/C23H23BrN2O4S/c1-4-29-16-12-10-15(11-13-16)19-14(3)31-21(20(19)22(27)30-5-2)26-23(28)25-18-9-7-6-8-17(18)24/h6-13H,4-5H2,1-3H3,(H2,25,26,28)