[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-(3-bromanylphenoxy)butanoate

Systemtic Name: [2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-(3-bromanylphenoxy)butanoate Openeye Name: [2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethyl] 4-(3-bromophenoxy)butanoate CAS Name: 4-(3-bromophenoxy)butanoic acid [2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-(3-bromophenoxy)butanoate Traditional Name: 4-(3-bromophenoxy)butyric acid [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C17H17BrN2O5S MolecularWeight: 441.29628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)OCCCC(=O)OCC(=O)NC2=C(C=CS2)C(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)Br)OCCCC(=O)OCC(=O)NC2=C(C=CS2)C(=O)N

InChI

InChI=1S/C17H17BrN2O5S/c18-11-3-1-4-12(9-11)24-7-2-5-15(22)25-10-14(21)20-17-13(16(19)23)6-8-26-17/h1,3-4,6,8-9H,2,5,7,10H2,(H2,19,23)(H,20,21)