copper (3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-[(Z)-4-oxidanylidenepent-2-en-2-yl]azanide nitrate

Systemtic Name: copper (3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-[(Z)-4-oxidanylidenepent-2-en-2-yl]azanide nitrate Openeye Name: copper (3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-[(Z)-1-methyl-3-oxo-but-1-enyl]azanide nitrate CAS Name: copper (3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-[(Z)-4-oxopent-2-en-2-yl]azanide nitrate IUPAC Name: copper (3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-[(Z)-4-oxopent-2-en-2-yl]azanide nitrate Traditional Name: cupric (3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)-[(Z)-3-keto-1-methyl-but-1-enyl]azanide nitrate Formula: C16H20CuN2O6S MolecularWeight: 431.9508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)[N-]C(=CC(=O)C)C.[N+](=O)([O-])[O-].[Cu+2]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)[N-]/C(=C\C(=O)C)/C.[N+](=O)([O-])[O-].[Cu+2]

InChI

InChI=1S/C16H21NO3S.Cu.NO3/c1-4-20-16(19)14-12-7-5-6-8-13(12)21-15(14)17-10(2)9-11(3)18;;2-1(3)4/h9H,4-8H2,1-3H3,(H,17,18,19);;/q;+2;-1/p-1