2-(prop-2-enylamino)ethanoic acid; 3-sulfanyl-2,1,3-benzoxathiazole

Systemtic Name: 2-(prop-2-enylamino)ethanoic acid; 3-sulfanyl-2,1,3-benzoxathiazole Openeye Name: 2-(allylamino)acetic acid; 3-sulfanyl-2,1,3-benzoxathiazole CAS Name: 3-mercapto-2,1,3-benzoxathiazole; 2-(prop-2-enylamino)acetic acid IUPAC Name: 2-(prop-2-enylamino)acetic acid; 3-sulfanyl-2,1,3-benzoxathiazole Traditional Name: 2-(allylamino)acetic acid; 3-mercapto-2,1,3-benzoxathiazole Formula: C11H14N2O3S2 MolecularWeight: 286.37046

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNCC(=O)O.C1=CC=C2C(=C1)N(OS2)S

Isomeric SMILES

C=CCNCC(=O)O.C1=CC=C2C(=C1)N(OS2)S

InChI

InChI=1S/C6H5NOS2.C5H9NO2/c9-7-5-3-1-2-4-6(5)10-8-7;1-2-3-6-4-5(7)8/h1-4,9H;2,6H,1,3-4H2,(H,7,8)