ethyl 4-azanyl-5-(4-bromophenyl)carbonyl-2-[(2-methoxyphenyl)amino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-azanyl-5-(4-bromophenyl)carbonyl-2-[(2-methoxyphenyl)amino]thiophene-3-carboxylate Openeye Name: ethyl 4-amino-5-(4-bromobenzoyl)-2-(2-methoxyanilino)thiophene-3-carboxylate CAS Name: 4-amino-5-[(4-bromophenyl)-oxomethyl]-2-(2-methoxyanilino)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-5-(4-bromobenzoyl)-2-(2-methoxyanilino)thiophene-3-carboxylate Traditional Name: 4-amino-5-(4-bromobenzoyl)-2-(o-anisidino)thiophene-3-carboxylic acid ethyl ester Formula: C21H19BrN2O4S MolecularWeight: 475.35556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1N)C(=O)C2=CC=C(C=C2)Br)NC3=CC=CC=C3OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1N)C(=O)C2=CC=C(C=C2)Br)NC3=CC=CC=C3OC

InChI

InChI=1S/C21H19BrN2O4S/c1-3-28-21(26)16-17(23)19(18(25)12-8-10-13(22)11-9-12)29-20(16)24-14-6-4-5-7-15(14)27-2/h4-11,24H,3,23H2,1-2H3