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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)C#CC(=O)O)OCC(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)C#CC(=O)O)OCC(=O)NC2=NC3=CC=CC=C3S2

InChI

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