4-[5-[(E)-2-cyano-3-oxidanylidene-3-(thiophen-2-ylmethylamino)prop-1-enyl]furan-2-yl]benzoic acid

Systemtic Name: 4-[5-[(E)-2-cyano-3-oxidanylidene-3-(thiophen-2-ylmethylamino)prop-1-enyl]furan-2-yl]benzoic acid Openeye Name: 4-[5-[(E)-2-cyano-3-oxo-3-(2-thienylmethylamino)prop-1-enyl]-2-furyl]benzoic acid CAS Name: 4-[5-[(E)-2-cyano-3-oxo-3-(thiophen-2-ylmethylamino)prop-1-enyl]-2-furanyl]benzoic acid IUPAC Name: 4-[5-[(E)-2-cyano-3-oxo-3-(thiophen-2-ylmethylamino)prop-1-enyl]furan-2-yl]benzoic acid Traditional Name: 4-[5-[(E)-2-cyano-3-keto-3-(2-thenylamino)prop-1-enyl]-2-furyl]benzoic acid Formula: C20H14N2O4S MolecularWeight: 378.40116

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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)C(=O)O)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H14N2O4S/c21-11-15(19(23)22-12-17-2-1-9-27-17)10-16-7-8-18(26-16)13-3-5-14(6-4-13)20(24)25/h1-10H,12H2,(H,22,23)(H,24,25)/b15-10+