4-butanoyl-3-methyl-5-(prop-2-enylamino)thiophene-2-carboxylic acid

Systemtic Name: 4-butanoyl-3-methyl-5-(prop-2-enylamino)thiophene-2-carboxylic acid Openeye Name: 5-(allylamino)-4-butanoyl-3-methyl-thiophene-2-carboxylic acid CAS Name: 3-methyl-4-(1-oxobutyl)-5-(prop-2-enylamino)-2-thiophenecarboxylic acid IUPAC Name: 4-butanoyl-3-methyl-5-(prop-2-enylamino)thiophene-2-carboxylic acid Traditional Name: 5-(allylamino)-4-butyryl-3-methyl-2-thenoic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(SC(=C1C)C(=O)O)NCC=C

Isomeric SMILES

CCCC(=O)C1=C(SC(=C1C)C(=O)O)NCC=C

InChI

InChI=1S/C13H17NO3S/c1-4-6-9(15)10-8(3)11(13(16)17)18-12(10)14-7-5-2/h5,14H,2,4,6-7H2,1,3H3,(H,16,17)