methyl 4-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]-4-oxidanyl-but-2-ynoate

Systemtic Name: methyl 4-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]-4-oxidanyl-but-2-ynoate Openeye Name: methyl 4-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethoxy]-3-methoxy-phenyl]-4-hydroxy-but-2-ynoate CAS Name: 4-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethoxy]-3-methoxyphenyl]-4-hydroxy-2-butynoic acid methyl ester IUPAC Name: methyl 4-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethoxy]-3-methoxyphenyl]-4-hydroxybut-2-ynoate Traditional Name: 4-[4-[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethoxy]-3-methoxy-phenyl]-4-hydroxy-but-2-ynoic acid methyl ester Formula: C21H18N2O6S MolecularWeight: 426.44242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O6S/c1-27-17-11-13(15(24)8-10-20(26)28-2)7-9-16(17)29-12-19(25)23-21-22-14-5-3-4-6-18(14)30-21/h3-7,9,11,15,24H,12H2,1-2H3,(H,22,23,25)