3-(phenylsulfanylmethyl)-5-(prop-2-enylcarbamoyl)-1,2-oxazole-4-carboxylic acid

Systemtic Name: 3-(phenylsulfanylmethyl)-5-(prop-2-enylcarbamoyl)-1,2-oxazole-4-carboxylic acid Openeye Name: 5-(allylcarbamoyl)-3-(phenylsulfanylmethyl)isoxazole-4-carboxylic acid CAS Name: 5-[oxo-(prop-2-enylamino)methyl]-3-[(phenylthio)methyl]-4-isoxazolecarboxylic acid IUPAC Name: 3-(phenylsulfanylmethyl)-5-(prop-2-enylcarbamoyl)-1,2-oxazole-4-carboxylic acid Traditional Name: 5-(allylcarbamoyl)-3-[(phenylthio)methyl]isoxazole-4-carboxylic acid Formula: C15H14N2O4S MolecularWeight: 318.34766

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=C(C(=NO1)CSC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C=CCNC(=O)C1=C(C(=NO1)CSC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C15H14N2O4S/c1-2-8-16-14(18)13-12(15(19)20)11(17-21-13)9-22-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H,16,18)(H,19,20)