methyl 5-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-ylcarbonylamino)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-ylcarbonylamino)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazole-2-carbonylamino)-4-methyl-thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-[[1,3-benzothiazol-2-yl(oxo)methyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazole-2-carbonylamino)-4-methylthiophene-3-carboxylate Traditional Name: 2-(1,3-benzothiazole-2-carbonylamino)-4-methyl-5-piperonyl-thiophene-3-carboxylic acid methyl ester Formula: C23H18N2O5S2 MolecularWeight: 466.52942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=NC3=CC=CC=C3S2)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=NC3=CC=CC=C3S2)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H18N2O5S2/c1-12-18(10-13-7-8-15-16(9-13)30-11-29-15)32-21(19(12)23(27)28-2)25-20(26)22-24-14-5-3-4-6-17(14)31-22/h3-9H,10-11H2,1-2H3,(H,25,26)