1-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxidanylidene-ethyl]-5-nitro-pyridin-2-one

Systemtic Name: 1-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxidanylidene-ethyl]-5-nitro-pyridin-2-one Openeye Name: 1-[2-(3-methylbenzothiophen-2-yl)-2-oxo-ethyl]-5-nitro-pyridin-2-one CAS Name: 1-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]-5-nitro-2-pyridinone IUPAC Name: 1-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]-5-nitropyridin-2-one Traditional Name: 1-[2-keto-2-(3-methylbenzothiophen-2-yl)ethyl]-5-nitro-2-pyridone Formula: C16H12N2O4S MolecularWeight: 328.34248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)CN3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)CN3C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O4S/c1-10-12-4-2-3-5-14(12)23-16(10)13(19)9-17-8-11(18(21)22)6-7-15(17)20/h2-8H,9H2,1H3