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

Systemtic Name: methyl 5-methylsulfanyl-4-[2-(2-morpholin-4-ylethylamino)-1,3-thiazol-4-yl]thiophene-2-carboxylate Openeye Name: methyl 5-methylsulfanyl-4-[2-(2-morpholinoethylamino)thiazol-4-yl]thiophene-2-carboxylate CAS Name: 5-(methylthio)-4-[2-[2-(4-morpholinyl)ethylamino]-4-thiazolyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methylsulfanyl-4-[2-(2-morpholin-4-ylethylamino)-1,3-thiazol-4-yl]thiophene-2-carboxylate Traditional Name: 5-(methylthio)-4-[2-(2-morpholinoethylamino)thiazol-4-yl]thiophene-2-carboxylic acid methyl ester Formula: C16H21N3O3S3 MolecularWeight: 399.55124

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(S1)SC)C2=CSC(=N2)NCCN3CCOCC3

Isomeric SMILES

COC(=O)C1=CC(=C(S1)SC)C2=CSC(=N2)NCCN3CCOCC3

InChI

InChI=1S/C16H21N3O3S3/c1-21-14(20)13-9-11(15(23-2)25-13)12-10-24-16(18-12)17-3-4-19-5-7-22-8-6-19/h9-10H,3-8H2,1-2H3,(H,17,18)