[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [2-(allylamino)-1-methyl-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-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] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C15H14N2O5S MolecularWeight: 334.34706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)OC(=O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC=C)OC(=O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H14N2O5S/c1-3-6-16-14(18)9(2)22-15(19)13-8-10-7-11(17(20)21)4-5-12(10)23-13/h3-5,7-9H,1,6H2,2H3,(H,16,18)