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

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-thiophen-3-ylpropanoate Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl] 3-(3-thienyl)propanoate CAS Name: 3-(3-thiophenyl)propanoic acid [2-(4-bromo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate Traditional Name: 3-(3-thienyl)propionic acid [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C16H16BrNO3S MolecularWeight: 382.27214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)COC(=O)CCC2=CSC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)COC(=O)CCC2=CSC=C2

InChI

InChI=1S/C16H16BrNO3S/c1-11-8-13(17)3-4-14(11)18-15(19)9-21-16(20)5-2-12-6-7-22-10-12/h3-4,6-8,10H,2,5,9H2,1H3,(H,18,19)