3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[3-(3,5-dimethylisoxazol-4-yl)propanoylamino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[3-(3,5-dimethyl-4-isoxazolyl)-1-oxopropyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[3-(3,5-dimethylisoxazol-4-yl)propanoylamino]-5-phenyl-2-thenoic acid Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CCC(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=NO1)C)CCC(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H18N2O4S/c1-11-14(12(2)25-21-11)8-9-17(22)20-15-10-16(26-18(15)19(23)24)13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,20,22)(H,23,24)