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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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