diethyl (2E)-5-azanyl-7-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxidanylidene-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate

Systemtic Name: diethyl (2E)-5-azanyl-7-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxidanylidene-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate Openeye Name: diethyl (2E)-5-amino-7-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethylene)-3-oxo-7H-thiazolo[3,2-a]pyridine-6,8-dicarboxylate CAS Name: (2E)-5-amino-7-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-7H-thiazolo[3,2-a]pyridine-6,8-dicarboxylic acid diethyl ester IUPAC Name: diethyl (2E)-5-amino-7-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate Traditional Name: (2E)-5-amino-7-(1,3-benzodioxol-5-yl)-3-keto-2-piperonylidene-7H-thiazolo[3,2-a]pyridine-6,8-dicarboxylic acid diethyl ester Formula: C28H24N2O9S MolecularWeight: 564.56316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N2C(=C(C1C3=CC4=C(C=C3)OCO4)C(=O)OCC)SC(=CC5=CC6=C(C=C5)OCO6)C2=O)N

Isomeric SMILES

CCOC(=O)C1=C(N2C(=C(C1C3=CC4=C(C=C3)OCO4)C(=O)OCC)S/C(=C/C5=CC6=C(C=C5)OCO6)/C2=O)N

InChI

InChI=1S/C28H24N2O9S/c1-3-34-27(32)22-21(15-6-8-17-19(11-15)39-13-37-17)23(28(33)35-4-2)26-30(24(22)29)25(31)20(40-26)10-14-5-7-16-18(9-14)38-12-36-16/h5-11,21H,3-4,12-13,29H2,1-2H3/b20-10+