3-[[3-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[3-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-[5-(4-chlorophenyl)sulfanyl-2-furyl]-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[3-[5-[(4-chlorophenyl)thio]-2-furanyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[3-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-[5-[(4-chlorophenyl)thio]-2-furyl]-2-cyano-acryloyl]amino]benzoic acid Formula: C21H13ClN2O4S MolecularWeight: 424.85692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C(=CC2=CC=C(O2)SC3=CC=C(C=C3)Cl)C#N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C(=CC2=CC=C(O2)SC3=CC=C(C=C3)Cl)C#N)C(=O)O

InChI

InChI=1S/C21H13ClN2O4S/c22-15-4-7-18(8-5-15)29-19-9-6-17(28-19)11-14(12-23)20(25)24-16-3-1-2-13(10-16)21(26)27/h1-11H,(H,24,25)(H,26,27)