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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)C3=CC=C(S3)Cl)C(=C(N2CC4=NOC=C4)C(=O)O)C#N

Isomeric SMILES

CC1=C2C(=CC(=C1)C3=CC=C(S3)Cl)C(=C(N2CC4=NOC=C4)C(=O)O)C#N

InChI

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