methyl 5-(1,3-benzodioxol-5-ylcarbonylamino)-4-(1,3-benzothiazol-2-yl)-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-(1,3-benzodioxol-5-ylcarbonylamino)-4-(1,3-benzothiazol-2-yl)-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-(1,3-benzodioxole-5-carbonylamino)-4-(1,3-benzothiazol-2-yl)-2-methyl-furan-3-carboxylate CAS Name: 5-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-4-(1,3-benzothiazol-2-yl)-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-(1,3-benzodioxole-5-carbonylamino)-4-(1,3-benzothiazol-2-yl)-2-methylfuran-3-carboxylate Traditional Name: 4-(1,3-benzothiazol-2-yl)-2-methyl-5-(piperonyloylamino)furan-3-carboxylic acid methyl ester Formula: C22H16N2O6S MolecularWeight: 436.43724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)NC(=O)C2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5S4)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(O1)NC(=O)C2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5S4)C(=O)OC

InChI

InChI=1S/C22H16N2O6S/c1-11-17(22(26)27-2)18(21-23-13-5-3-4-6-16(13)31-21)20(30-11)24-19(25)12-7-8-14-15(9-12)29-10-28-14/h3-9H,10H2,1-2H3,(H,24,25)