[(Z)-(1-aminocarbonyl-6-chloranyl-5-fluoranyl-2-oxidanylidene-indol-3-ylidene)-thiophen-2-yl-methyl] pyridine-3-carboxylate

Systemtic Name: [(Z)-(1-aminocarbonyl-6-chloranyl-5-fluoranyl-2-oxidanylidene-indol-3-ylidene)-thiophen-2-yl-methyl] pyridine-3-carboxylate Openeye Name: [(Z)-(1-carbamoyl-6-chloro-5-fluoro-2-oxo-indolin-3-ylidene)-(2-thienyl)methyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic 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] pyridine-3-carboxylate Traditional Name: nicotinic acid [(Z)-(1-carbamoyl-6-chloro-5-fluoro-2-keto-indolin-3-ylidene)-(2-thienyl)methyl] ester Formula: C20H11ClFN3O4S MolecularWeight: 443.835443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)OC(=C2C3=CC(=C(C=C3N(C2=O)C(=O)N)Cl)F)C4=CC=CS4

Isomeric SMILES

C1=CC(=CN=C1)C(=O)O/C(=C\2/C3=CC(=C(C=C3N(C2=O)C(=O)N)Cl)F)/C4=CC=CS4

InChI

InChI=1S/C20H11ClFN3O4S/c21-12-8-14-11(7-13(12)22)16(18(26)25(14)20(23)28)17(15-4-2-6-30-15)29-19(27)10-3-1-5-24-9-10/h1-9H,(H2,23,28)/b17-16-