5-[[4-(4-bromophenyl)-3-methoxycarbonyl-thiophen-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[4-(4-bromophenyl)-3-methoxycarbonyl-thiophen-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[4-(4-bromophenyl)-3-methoxycarbonyl-2-thienyl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[4-(4-bromophenyl)-3-methoxycarbonyl-2-thiophenyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[4-(4-bromophenyl)-3-methoxycarbonylthiophen-2-yl]amino]-5-oxopentanoic acid Traditional Name: 5-[[4-(4-bromophenyl)-3-carbomethoxy-2-thienyl]amino]-5-keto-valeric acid Formula: C17H16BrNO5S MolecularWeight: 426.28164

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)CCCC(=O)O

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)CCCC(=O)O

InChI

InChI=1S/C17H16BrNO5S/c1-24-17(23)15-12(10-5-7-11(18)8-6-10)9-25-16(15)19-13(20)3-2-4-14(21)22/h5-9H,2-4H2,1H3,(H,19,20)(H,21,22)