[(Z)-(1-aminocarbonyl-6-chloranyl-5-fluoranyl-2-oxidanylidene-indol-3-ylidene)-thiophen-2-yl-methyl] (2-cyclopropyl-3-nitrooxy-propyl)sulfanylmethanoate

Systemtic Name: [(Z)-(1-aminocarbonyl-6-chloranyl-5-fluoranyl-2-oxidanylidene-indol-3-ylidene)-thiophen-2-yl-methyl] (2-cyclopropyl-3-nitrooxy-propyl)sulfanylmethanoate Openeye Name: [(Z)-(1-carbamoyl-6-chloro-5-fluoro-2-oxo-indolin-3-ylidene)-(2-thienyl)methyl] (2-cyclopropyl-3-nitrooxy-propyl)sulfanylformate CAS Name: [(2-cyclopropyl-3-nitrooxypropyl)thio]formic acid [(Z)-(1-carbamoyl-6-chloro-5-fluoro-2-oxo-3-indolylidene)-thiophen-2-ylmethyl] ester IUPAC Name: [(Z)-(1-carbamoyl-6-chloro-5-fluoro-2-oxoindol-3-ylidene)-thiophen-2-ylmethyl] (2-cyclopropyl-3-nitrooxypropyl)sulfanylformate Traditional Name: [(2-cyclopropyl-3-nitrooxy-propyl)thio]formic acid [(Z)-(1-carbamoyl-6-chloro-5-fluoro-2-keto-indolin-3-ylidene)-(2-thienyl)methyl] ester Formula: C21H17ClFN3O7S2 MolecularWeight: 541.956983

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(CO[N+](=O)[O-])CSC(=O)OC(=C2C3=CC(=C(C=C3N(C2=O)C(=O)N)Cl)F)C4=CC=CS4

Isomeric SMILES

C1CC1C(CO[N+](=O)[O-])CSC(=O)O/C(=C\2/C3=CC(=C(C=C3N(C2=O)C(=O)N)Cl)F)/C4=CC=CS4

InChI

InChI=1S/C21H17ClFN3O7S2/c22-13-7-15-12(6-14(13)23)17(19(27)25(15)20(24)28)18(16-2-1-5-34-16)33-21(29)35-9-11(10-3-4-10)8-32-26(30)31/h1-2,5-7,10-11H,3-4,8-9H2,(H2,24,28)/b18-17-