[2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylcarbonylbenzoate

Systemtic Name: [2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylcarbonylbenzoate Openeye Name: [2-(3-bromo-4-methyl-anilino)-2-oxo-ethyl] 2-(thiophene-2-carbonyl)benzoate CAS Name: 2-[oxo(thiophen-2-yl)methyl]benzoic acid [2-(3-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methylanilino)-2-oxoethyl] 2-(thiophene-2-carbonyl)benzoate Traditional Name: 2-(2-thenoyl)benzoic acid [2-(3-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C21H16BrNO4S MolecularWeight: 458.32504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=CS3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=CS3)Br

InChI

InChI=1S/C21H16BrNO4S/c1-13-8-9-14(11-17(13)22)23-19(24)12-27-21(26)16-6-3-2-5-15(16)20(25)18-7-4-10-28-18/h2-11H,12H2,1H3,(H,23,24)