methyl 3-[1,3-benzodioxol-5-ylmethyl(1,3-thiazol-2-ylmethyl)carbamoyl]pyridine-4-carboxylate

Systemtic Name: methyl 3-[1,3-benzodioxol-5-ylmethyl(1,3-thiazol-2-ylmethyl)carbamoyl]pyridine-4-carboxylate Openeye Name: methyl 3-[1,3-benzodioxol-5-ylmethyl(thiazol-2-ylmethyl)carbamoyl]pyridine-4-carboxylate CAS Name: 3-[[1,3-benzodioxol-5-ylmethyl(2-thiazolylmethyl)amino]-oxomethyl]-4-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-[1,3-benzodioxol-5-ylmethyl(1,3-thiazol-2-ylmethyl)carbamoyl]pyridine-4-carboxylate Traditional Name: 3-[piperonyl(thiazol-2-ylmethyl)carbamoyl]isonicotinic acid methyl ester Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=NC=C1)C(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=NC=CS4

Isomeric SMILES

COC(=O)C1=C(C=NC=C1)C(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=NC=CS4

InChI

InChI=1S/C20H17N3O5S/c1-26-20(25)14-4-5-21-9-15(14)19(24)23(11-18-22-6-7-29-18)10-13-2-3-16-17(8-13)28-12-27-16/h2-9H,10-12H2,1H3