ethyl 2-azanyl-4-[[(4-bromophenyl)amino]methyl]-5-(methylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-4-[[(4-bromophenyl)amino]methyl]-5-(methylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-amino-4-[(4-bromoanilino)methyl]-5-(methylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-amino-4-[(4-bromoanilino)methyl]-5-(methylcarbamoyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-[(4-bromoanilino)methyl]-5-(methylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-amino-4-[(4-bromoanilino)methyl]-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C16H18BrN3O3S MolecularWeight: 412.30142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CNC2=CC=C(C=C2)Br)C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CNC2=CC=C(C=C2)Br)C(=O)NC)N

InChI

InChI=1S/C16H18BrN3O3S/c1-3-23-16(22)12-11(13(15(21)19-2)24-14(12)18)8-20-10-6-4-9(17)5-7-10/h4-7,20H,3,8,18H2,1-2H3,(H,19,21)