4-[4-[2-[(2-methoxy-1,3-benzothiazol-4-yl)amino]-2-oxidanylidene-ethoxy]phenyl]-4-oxidanylidene-but-2-ynoic acid

Systemtic Name: 4-[4-[2-[(2-methoxy-1,3-benzothiazol-4-yl)amino]-2-oxidanylidene-ethoxy]phenyl]-4-oxidanylidene-but-2-ynoic acid Openeye Name: 4-[4-[2-[(2-methoxy-1,3-benzothiazol-4-yl)amino]-2-oxo-ethoxy]phenyl]-4-oxo-but-2-ynoic acid CAS Name: 4-[4-[2-[(2-methoxy-1,3-benzothiazol-4-yl)amino]-2-oxoethoxy]phenyl]-4-oxo-2-butynoic acid IUPAC Name: 4-[4-[2-[(2-methoxy-1,3-benzothiazol-4-yl)amino]-2-oxoethoxy]phenyl]-4-oxobut-2-ynoic acid Traditional Name: 4-keto-4-[4-[2-keto-2-[(2-methoxy-1,3-benzothiazol-4-yl)amino]ethoxy]phenyl]but-2-ynoic acid Formula: C20H14N2O6S MolecularWeight: 410.39996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC2=C(C=CC=C2S1)NC(=O)COC3=CC=C(C=C3)C(=O)C#CC(=O)O

Isomeric SMILES

COC1=NC2=C(C=CC=C2S1)NC(=O)COC3=CC=C(C=C3)C(=O)C#CC(=O)O

InChI

InChI=1S/C20H14N2O6S/c1-27-20-22-19-14(3-2-4-16(19)29-20)21-17(24)11-28-13-7-5-12(6-8-13)15(23)9-10-18(25)26/h2-8H,11H2,1H3,(H,21,24)(H,25,26)