methyl 2-[1-[(5-nitro-1-benzothiophen-2-yl)carbonyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[1-[(5-nitro-1-benzothiophen-2-yl)carbonyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-(5-nitrobenzothiophene-2-carbonyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(5-nitro-1-benzothiophene-2-carbonyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(5-nitrobenzothiophene-2-carbonyl)piperazin-2-yl]acetic acid methyl ester Formula: C16H15N3O6S MolecularWeight: 377.3718

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CC1C(=O)NCCN1C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O6S/c1-25-14(20)8-11-15(21)17-4-5-18(11)16(22)13-7-9-6-10(19(23)24)2-3-12(9)26-13/h2-3,6-7,11H,4-5,8H2,1H3,(H,17,21)