1-[[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]methyl]indole-2,4-dicarboxylic acid

Systemtic Name: 1-[[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]methyl]indole-2,4-dicarboxylic acid Openeye Name: 1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]indole-2,4-dicarboxylic acid CAS Name: 1-[[5-(5-chloro-2-thiophenyl)-3-isoxazolyl]methyl]indole-2,4-dicarboxylic acid IUPAC Name: 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]indole-2,4-dicarboxylic acid Traditional Name: 1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]indole-2,4-dicarboxylic acid Formula: C18H11ClN2O5S MolecularWeight: 402.80834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(N(C2=C1)CC3=NOC(=C3)C4=CC=C(S4)Cl)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C2C=C(N(C2=C1)CC3=NOC(=C3)C4=CC=C(S4)Cl)C(=O)O)C(=O)O

InChI

InChI=1S/C18H11ClN2O5S/c19-16-5-4-15(27-16)14-6-9(20-26-14)8-21-12-3-1-2-10(17(22)23)11(12)7-13(21)18(24)25/h1-7H,8H2,(H,22,23)(H,24,25)