3-methyl-5-(prop-2-enylamino)-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-methyl-5-(prop-2-enylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 5-(allylamino)-3-methyl-isothiazole-4-carboxylic acid CAS Name: 3-methyl-5-(prop-2-enylamino)-4-isothiazolecarboxylic acid IUPAC Name: 3-methyl-5-(prop-2-enylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 5-(allylamino)-3-methyl-isothiazole-4-carboxylic acid Formula: C8H10N2O2S MolecularWeight: 198.2422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)O)NCC=C

Isomeric SMILES

CC1=NSC(=C1C(=O)O)NCC=C

InChI

InChI=1S/C8H10N2O2S/c1-3-4-9-7-6(8(11)12)5(2)10-13-7/h3,9H,1,4H2,2H3,(H,11,12)