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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N2CC3=NOC(=C3)C4=CC=C(S4)Cl)C(=O)O)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N2CC3=NOC(=C3)C4=CC=C(S4)Cl)C(=O)O)C#N

InChI

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