[2-[(2-methyl-1-thiophen-2-yl-propyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-5-bromanyl-benzoate

Systemtic Name: [2-[(2-methyl-1-thiophen-2-yl-propyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-5-bromanyl-benzoate Openeye Name: [2-[[2-methyl-1-(2-thienyl)propyl]amino]-2-oxo-ethyl] 2-amino-5-bromo-benzoate CAS Name: 2-amino-5-bromobenzoic acid [2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl] 2-amino-5-bromobenzoate Traditional Name: 2-amino-5-bromo-benzoic acid [2-keto-2-[[2-methyl-1-(2-thienyl)propyl]amino]ethyl] ester Formula: C17H19BrN2O3S MolecularWeight: 411.31336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CS1)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)N

Isomeric SMILES

CC(C)C(C1=CC=CS1)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)N

InChI

InChI=1S/C17H19BrN2O3S/c1-10(2)16(14-4-3-7-24-14)20-15(21)9-23-17(22)12-8-11(18)5-6-13(12)19/h3-8,10,16H,9,19H2,1-2H3,(H,20,21)