[2-[[3-(3-cyanothiophen-2-yl)-3-oxidanylidene-propanoyl]amino]-4-(2-fluorophenyl)phenyl]carbamic acid

Systemtic Name: [2-[[3-(3-cyanothiophen-2-yl)-3-oxidanylidene-propanoyl]amino]-4-(2-fluorophenyl)phenyl]carbamic acid Openeye Name: [2-[[3-(3-cyano-2-thienyl)-3-oxo-propanoyl]amino]-4-(2-fluorophenyl)phenyl]carbamic acid CAS Name: [2-[[3-(3-cyano-2-thiophenyl)-1,3-dioxopropyl]amino]-4-(2-fluorophenyl)phenyl]carbamic acid IUPAC Name: [2-[[3-(3-cyanothiophen-2-yl)-3-oxopropanoyl]amino]-4-(2-fluorophenyl)phenyl]carbamic acid Traditional Name: [2-[[3-(3-cyano-2-thienyl)-3-keto-propanoyl]amino]-4-(2-fluorophenyl)phenyl]carbamic acid Formula: C21H14FN3O4S MolecularWeight: 423.416963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC(=C(C=C2)NC(=O)O)NC(=O)CC(=O)C3=C(C=CS3)C#N)F

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC(=C(C=C2)NC(=O)O)NC(=O)CC(=O)C3=C(C=CS3)C#N)F

InChI

InChI=1S/C21H14FN3O4S/c22-15-4-2-1-3-14(15)12-5-6-16(25-21(28)29)17(9-12)24-19(27)10-18(26)20-13(11-23)7-8-30-20/h1-9,25H,10H2,(H,24,27)(H,28,29)