methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylimino)-3-(2-methoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylimino)-3-(2-methoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylimino)-3-(2-methoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]imino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylimino)-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-carbonylimino)-3-(2-keto-2-methoxy-ethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H18N2O7S MolecularWeight: 442.44182

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H18N2O7S/c1-27-18(24)11-23-14-5-3-13(20(26)28-2)10-17(14)31-21(23)22-19(25)12-4-6-15-16(9-12)30-8-7-29-15/h3-6,9-10H,7-8,11H2,1-2H3