ethyl 3-methyl-5-[[6-(2-methylbutan-2-yl)-1-benzothiophen-3-yl]carbonylamino]-1,2-thiazole-4-carboxylate

Systemtic Name: ethyl 3-methyl-5-[[6-(2-methylbutan-2-yl)-1-benzothiophen-3-yl]carbonylamino]-1,2-thiazole-4-carboxylate Openeye Name: ethyl 5-[[6-(1,1-dimethylpropyl)benzothiophene-3-carbonyl]amino]-3-methyl-isothiazole-4-carboxylate CAS Name: 3-methyl-5-[[[6-(2-methylbutan-2-yl)-1-benzothiophen-3-yl]-oxomethyl]amino]-4-isothiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[[6-(2-methylbutan-2-yl)-1-benzothiophene-3-carbonyl]amino]-1,2-thiazole-4-carboxylate Traditional Name: 5-[(6-tert-amylbenzothiophene-3-carbonyl)amino]-3-methyl-isothiazole-4-carboxylic acid ethyl ester Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC2=C(C=C1)C(=CS2)C(=O)NC3=C(C(=NS3)C)C(=O)OCC

Isomeric SMILES

CCC(C)(C)C1=CC2=C(C=C1)C(=CS2)C(=O)NC3=C(C(=NS3)C)C(=O)OCC

InChI

InChI=1S/C21H24N2O3S2/c1-6-21(4,5)13-8-9-14-15(11-27-16(14)10-13)18(24)22-19-17(12(3)23-28-19)20(25)26-7-2/h8-11H,6-7H2,1-5H3,(H,22,24)