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

Systemtic Name: 5-[[4-(4-bromophenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[4-(4-bromophenyl)-3-ethoxycarbonyl-2-thienyl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[4-(4-bromophenyl)-3-ethoxycarbonyl-2-thiophenyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[4-(4-bromophenyl)-3-ethoxycarbonylthiophen-2-yl]amino]-5-oxopentanoic acid Traditional Name: 5-[[4-(4-bromophenyl)-3-carbethoxy-2-thienyl]amino]-5-keto-valeric acid Formula: C18H18BrNO5S MolecularWeight: 440.30822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrNO5S/c1-2-25-18(24)16-13(11-6-8-12(19)9-7-11)10-26-17(16)20-14(21)4-3-5-15(22)23/h6-10H,2-5H2,1H3,(H,20,21)(H,22,23)