dicyclohexyl 2-(6-nitro-2-oxidanylidene-1,3-benzothiazol-3-yl)propanedioate

Systemtic Name: dicyclohexyl 2-(6-nitro-2-oxidanylidene-1,3-benzothiazol-3-yl)propanedioate Openeye Name: dicyclohexyl 2-(6-nitro-2-oxo-1,3-benzothiazol-3-yl)propanedioate CAS Name: 2-(6-nitro-2-oxo-1,3-benzothiazol-3-yl)propanedioic acid dicyclohexyl ester IUPAC Name: dicyclohexyl 2-(6-nitro-2-oxo-1,3-benzothiazol-3-yl)propanedioate Traditional Name: 2-(2-keto-6-nitro-1,3-benzothiazol-3-yl)malonic acid dicyclohexyl ester Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C(C(=O)OC2CCCCC2)N3C4=C(C=C(C=C4)[N+](=O)[O-])SC3=O

Isomeric SMILES

C1CCC(CC1)OC(=O)C(C(=O)OC2CCCCC2)N3C4=C(C=C(C=C4)[N+](=O)[O-])SC3=O

InChI

InChI=1S/C22H26N2O7S/c25-20(30-15-7-3-1-4-8-15)19(21(26)31-16-9-5-2-6-10-16)23-17-12-11-14(24(28)29)13-18(17)32-22(23)27/h11-13,15-16,19H,1-10H2