[1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-thiophen-3-ylpropanoate

Systemtic Name: [1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-thiophen-3-ylpropanoate Openeye Name: [2-(4-bromoanilino)-1-methyl-2-oxo-ethyl] 3-(3-thienyl)propanoate CAS Name: 3-(3-thiophenyl)propanoic acid [1-(4-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromoanilino)-1-oxopropan-2-yl] 3-thiophen-3-ylpropanoate Traditional Name: 3-(3-thienyl)propionic acid [2-(4-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C16H16BrNO3S MolecularWeight: 382.27214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)CCC2=CSC=C2

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)CCC2=CSC=C2

InChI

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