N-[[4-(4-methanethioylphenyl)-5-oxidanylidene-1,2-oxazol-2-yl]methyl]propanamide

Systemtic Name: N-[[4-(4-methanethioylphenyl)-5-oxidanylidene-1,2-oxazol-2-yl]methyl]propanamide Openeye Name: N-[[4-(4-methanethioylphenyl)-5-oxo-isoxazol-2-yl]methyl]propanamide CAS Name: N-[[4-(4-methanethioylphenyl)-5-oxo-2-isoxazolyl]methyl]propanamide IUPAC Name: N-[[4-(4-methanethioylphenyl)-5-oxo-1,2-oxazol-2-yl]methyl]propanamide Traditional Name: N-[[5-keto-4-(4-thioformylphenyl)-3-isoxazolin-2-yl]methyl]propionamide Formula: C14H14N2O3S MolecularWeight: 290.33756

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NCN1C=C(C(=O)O1)C2=CC=C(C=C2)C=S

Isomeric SMILES

CCC(=O)NCN1C=C(C(=O)O1)C2=CC=C(C=C2)C=S

InChI

InChI=1S/C14H14N2O3S/c1-2-13(17)15-9-16-7-12(14(18)19-16)11-5-3-10(8-20)4-6-11/h3-8H,2,9H2,1H3,(H,15,17)