1-[[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-cyano-7-methyl-indole-2-carboxylic acid

Systemtic Name: 1-[[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-cyano-7-methyl-indole-2-carboxylic acid Openeye Name: 1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]-3-cyano-7-methyl-indole-2-carboxylic acid CAS Name: 1-[[5-(5-chloro-2-thiophenyl)-3-isoxazolyl]methyl]-3-cyano-7-methyl-2-indolecarboxylic acid IUPAC Name: 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-cyano-7-methylindole-2-carboxylic acid Traditional Name: 1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]-3-cyano-7-methyl-indole-2-carboxylic acid Formula: C19H12ClN3O3S MolecularWeight: 397.83488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(C(=C2C#N)C(=O)O)CC3=NOC(=C3)C4=CC=C(S4)Cl

Isomeric SMILES

CC1=CC=CC2=C1N(C(=C2C#N)C(=O)O)CC3=NOC(=C3)C4=CC=C(S4)Cl

InChI

InChI=1S/C19H12ClN3O3S/c1-10-3-2-4-12-13(8-21)18(19(24)25)23(17(10)12)9-11-7-14(26-22-11)15-5-6-16(20)27-15/h2-7H,9H2,1H3,(H,24,25)