ethyl 2-[2-[(4-bromanyl-2-methyl-phenyl)amino]ethanoylamino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(4-bromanyl-2-methyl-phenyl)amino]ethanoylamino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-bromo-2-methyl-anilino)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-2-methylanilino)-1-oxoethyl]amino]-4-methyl-5-(methylcarbamoyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-bromo-2-methylanilino)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromo-2-methyl-anilino)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C19H22BrN3O4S MolecularWeight: 468.36468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)CNC2=C(C=C(C=C2)Br)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)CNC2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C19H22BrN3O4S/c1-5-27-19(26)15-11(3)16(17(25)21-4)28-18(15)23-14(24)9-22-13-7-6-12(20)8-10(13)2/h6-8,22H,5,9H2,1-4H3,(H,21,25)(H,23,24)