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

Systemtic Name: 1-[[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-cyano-indole-2-carboxylic acid Openeye Name: 1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]-5-cyano-indole-2-carboxylic acid CAS Name: 1-[[5-(5-chloro-2-thiophenyl)-3-isoxazolyl]methyl]-5-cyano-2-indolecarboxylic acid IUPAC Name: 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-cyanoindole-2-carboxylic acid Traditional Name: 1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]-5-cyano-indole-2-carboxylic acid Formula: C18H10ClN3O3S MolecularWeight: 383.8083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C#N)C=C(N2CC3=NOC(=C3)C4=CC=C(S4)Cl)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1C#N)C=C(N2CC3=NOC(=C3)C4=CC=C(S4)Cl)C(=O)O

InChI

InChI=1S/C18H10ClN3O3S/c19-17-4-3-16(26-17)15-7-12(21-25-15)9-22-13-2-1-10(8-20)5-11(13)6-14(22)18(23)24/h1-7H,9H2,(H,23,24)