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

Systemtic Name: ethyl 4-azanyl-5-(4-bromophenyl)carbonyl-2-[(phenylmethyl)amino]thiophene-3-carboxylate Openeye Name: ethyl 4-amino-2-(benzylamino)-5-(4-bromobenzoyl)thiophene-3-carboxylate CAS Name: 4-amino-5-[(4-bromophenyl)-oxomethyl]-2-[(phenylmethyl)amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(benzylamino)-5-(4-bromobenzoyl)thiophene-3-carboxylate Traditional Name: 4-amino-2-(benzylamino)-5-(4-bromobenzoyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H19BrN2O3S MolecularWeight: 459.35616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1N)C(=O)C2=CC=C(C=C2)Br)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1N)C(=O)C2=CC=C(C=C2)Br)NCC3=CC=CC=C3

InChI

InChI=1S/C21H19BrN2O3S/c1-2-27-21(26)16-17(23)19(18(25)14-8-10-15(22)11-9-14)28-20(16)24-12-13-6-4-3-5-7-13/h3-11,24H,2,12,23H2,1H3