4-[[4-(4-bromophenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-(4-bromophenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[4-(4-bromophenyl)-3-ethoxycarbonyl-2-thienyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[4-(4-bromophenyl)-3-ethoxycarbonyl-2-thiophenyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[4-(4-bromophenyl)-3-ethoxycarbonylthiophen-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[4-(4-bromophenyl)-3-carbethoxy-2-thienyl]amino]-4-keto-butyric acid Formula: C17H16BrNO5S MolecularWeight: 426.28164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)CCC(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)CCC(=O)O

InChI

InChI=1S/C17H16BrNO5S/c1-2-24-17(23)15-12(10-3-5-11(18)6-4-10)9-25-16(15)19-13(20)7-8-14(21)22/h3-6,9H,2,7-8H2,1H3,(H,19,20)(H,21,22)