ethyl 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)piperidin-4-yl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)piperidin-4-yl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-4-piperidyl]thiazole-4-carboxylate CAS Name: 2-[1-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-sulfanylidenemethyl]-4-piperidinyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)piperidin-4-yl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylthiocarbamoyl)-4-piperidyl]thiazole-4-carboxylic acid ethyl ester Formula: C20H23N3O4S2 MolecularWeight: 433.54432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)C2CCN(CC2)C(=S)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)C2CCN(CC2)C(=S)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H23N3O4S2/c1-2-25-19(24)15-12-29-18(22-15)13-5-7-23(8-6-13)20(28)21-14-3-4-16-17(11-14)27-10-9-26-16/h3-4,11-13H,2,5-10H2,1H3,(H,21,28)