2-[(3-methoxy-2-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-[(3-methoxy-2-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[(3-methoxy-2-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[(3-methoxy-2-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[(3-methoxy-2-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[(4-keto-3-methoxy-2-nitro-cyclohexa-2,5-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CNC2=C(C3=C(S2)CCCC3)C#N)C=CC1=O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=CNC2=C(C3=C(S2)CCCC3)C#N)C=CC1=O)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O4S/c1-24-16-13(21)7-6-10(15(16)20(22)23)9-19-17-12(8-18)11-4-2-3-5-14(11)25-17/h6-7,9,19H,2-5H2,1H3