methyl 5-methylsulfanyl-4-[2-(2-piperidin-2-ylethylamino)-1,3-thiazol-4-yl]thiophene-2-carboxylate

Systemtic Name: methyl 5-methylsulfanyl-4-[2-(2-piperidin-2-ylethylamino)-1,3-thiazol-4-yl]thiophene-2-carboxylate Openeye Name: methyl 5-methylsulfanyl-4-[2-[2-(2-piperidyl)ethylamino]thiazol-4-yl]thiophene-2-carboxylate CAS Name: 5-(methylthio)-4-[2-[2-(2-piperidinyl)ethylamino]-4-thiazolyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methylsulfanyl-4-[2-(2-piperidin-2-ylethylamino)-1,3-thiazol-4-yl]thiophene-2-carboxylate Traditional Name: 5-(methylthio)-4-[2-[2-(2-piperidyl)ethylamino]thiazol-4-yl]thiophene-2-carboxylic acid methyl ester Formula: C17H23N3O2S3 MolecularWeight: 397.57842

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(S1)SC)C2=CSC(=N2)NCCC3CCCCN3

Isomeric SMILES

COC(=O)C1=CC(=C(S1)SC)C2=CSC(=N2)NCCC3CCCCN3

InChI

InChI=1S/C17H23N3O2S3/c1-22-15(21)14-9-12(16(23-2)25-14)13-10-24-17(20-13)19-8-6-11-5-3-4-7-18-11/h9-11,18H,3-8H2,1-2H3,(H,19,20)