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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)COC(=O)CCC2=CC=CS2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)COC(=O)CCC2=CC=CS2

InChI

InChI=1S/C16H16BrNO3S/c1-11-9-12(17)4-6-14(11)18-15(19)10-21-16(20)7-5-13-3-2-8-22-13/h2-4,6,8-9H,5,7,10H2,1H3,(H,18,19)