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

Systemtic Name: 1-[[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3,5-dimethyl-pyrrole-2-carboxylic acid Openeye Name: 1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]-3,5-dimethyl-pyrrole-2-carboxylic acid CAS Name: 1-[[5-(5-chloro-2-thiophenyl)-3-isoxazolyl]methyl]-3,5-dimethyl-2-pyrrolecarboxylic acid IUPAC Name: 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3,5-dimethylpyrrole-2-carboxylic acid Traditional Name: 1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]-3,5-dimethyl-pyrrole-2-carboxylic acid Formula: C15H13ClN2O3S MolecularWeight: 336.79332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=NOC(=C2)C3=CC=C(S3)Cl)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(N1CC2=NOC(=C2)C3=CC=C(S3)Cl)C(=O)O)C

InChI

InChI=1S/C15H13ClN2O3S/c1-8-5-9(2)18(14(8)15(19)20)7-10-6-11(21-17-10)12-3-4-13(16)22-12/h3-6H,7H2,1-2H3,(H,19,20)