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

Systemtic Name: 4-[[4-(4-bromophenyl)-3-propan-2-yloxycarbonyl-thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[4-(4-bromophenyl)-3-isopropoxycarbonyl-2-thienyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[4-(4-bromophenyl)-3-[oxo(propan-2-yloxy)methyl]-2-thiophenyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[4-(4-bromophenyl)-3-propan-2-yloxycarbonylthiophen-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[4-(4-bromophenyl)-3-isopropoxycarbonyl-2-thienyl]amino]-4-keto-butyric acid Formula: C18H18BrNO5S MolecularWeight: 440.30822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrNO5S/c1-10(2)25-18(24)16-13(11-3-5-12(19)6-4-11)9-26-17(16)20-14(21)7-8-15(22)23/h3-6,9-10H,7-8H2,1-2H3,(H,20,21)(H,22,23)