dimethyl 2-[[4-[2-(2-oxidanylidene-6-pyridin-3-ylcarbonyl-1,3-benzothiazol-3-yl)ethoxy]phenyl]methylidene]propanedioate

Systemtic Name: dimethyl 2-[[4-[2-(2-oxidanylidene-6-pyridin-3-ylcarbonyl-1,3-benzothiazol-3-yl)ethoxy]phenyl]methylidene]propanedioate Openeye Name: dimethyl 2-[[4-[2-[2-oxo-6-(pyridine-3-carbonyl)-1,3-benzothiazol-3-yl]ethoxy]phenyl]methylene]propanedioate CAS Name: 2-[[4-[2-[2-oxo-6-[oxo(3-pyridinyl)methyl]-1,3-benzothiazol-3-yl]ethoxy]phenyl]methylidene]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[4-[2-[2-oxo-6-(pyridine-3-carbonyl)-1,3-benzothiazol-3-yl]ethoxy]phenyl]methylidene]propanedioate Traditional Name: 2-[4-[2-(2-keto-6-nicotinoyl-1,3-benzothiazol-3-yl)ethoxy]benzylidene]malonic acid dimethyl ester Formula: C27H22N2O7S MolecularWeight: 518.53778

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CC=C(C=C1)OCCN2C3=C(C=C(C=C3)C(=O)C4=CN=CC=C4)SC2=O)C(=O)OC

Isomeric SMILES

COC(=O)C(=CC1=CC=C(C=C1)OCCN2C3=C(C=C(C=C3)C(=O)C4=CN=CC=C4)SC2=O)C(=O)OC

InChI

InChI=1S/C27H22N2O7S/c1-34-25(31)21(26(32)35-2)14-17-5-8-20(9-6-17)36-13-12-29-22-10-7-18(15-23(22)37-27(29)33)24(30)19-4-3-11-28-16-19/h3-11,14-16H,12-13H2,1-2H3