[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(allylamino)-1-methyl-2-oxo-ethyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(prop-2-enylamino)propan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H17NO3S MolecularWeight: 303.37608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)OC(C)C(=O)NCC=C

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)OC(C)C(=O)NCC=C

InChI

InChI=1S/C16H17NO3S/c1-4-9-17-15(18)11(3)20-16(19)14-10(2)12-7-5-6-8-13(12)21-14/h4-8,11H,1,9H2,2-3H3,(H,17,18)