2-chloranyl-5-[5-[(E)-2-cyano-3-oxidanylidene-3-(thiophen-2-ylmethylamino)prop-1-enyl]furan-2-yl]benzoic acid

Systemtic Name: 2-chloranyl-5-[5-[(E)-2-cyano-3-oxidanylidene-3-(thiophen-2-ylmethylamino)prop-1-enyl]furan-2-yl]benzoic acid Openeye Name: 2-chloro-5-[5-[(E)-2-cyano-3-oxo-3-(2-thienylmethylamino)prop-1-enyl]-2-furyl]benzoic acid CAS Name: 2-chloro-5-[5-[(E)-2-cyano-3-oxo-3-(thiophen-2-ylmethylamino)prop-1-enyl]-2-furanyl]benzoic acid IUPAC Name: 2-chloro-5-[5-[(E)-2-cyano-3-oxo-3-(thiophen-2-ylmethylamino)prop-1-enyl]furan-2-yl]benzoic acid Traditional Name: 2-chloro-5-[5-[(E)-2-cyano-3-keto-3-(2-thenylamino)prop-1-enyl]-2-furyl]benzoic acid Formula: C20H13ClN2O4S MolecularWeight: 412.84622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CNC(=O)C(=CC2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(=O)O)C#N

Isomeric SMILES

C1=CSC(=C1)CNC(=O)/C(=C/C2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(=O)O)/C#N

InChI

InChI=1S/C20H13ClN2O4S/c21-17-5-3-12(9-16(17)20(25)26)18-6-4-14(27-18)8-13(10-22)19(24)23-11-15-2-1-7-28-15/h1-9H,11H2,(H,23,24)(H,25,26)/b13-8+