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

Systemtic Name: ethyl 5-[(6-tert-butyl-1-benzothiophen-3-yl)carbonylamino]-3-methyl-1,2-thiazole-4-carboxylate Openeye Name: ethyl 5-[(6-tert-butylbenzothiophene-3-carbonyl)amino]-3-methyl-isothiazole-4-carboxylate CAS Name: 5-[[(6-tert-butyl-1-benzothiophen-3-yl)-oxomethyl]amino]-3-methyl-4-isothiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(6-tert-butyl-1-benzothiophene-3-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylate Traditional Name: 5-[(6-tert-butylbenzothiophene-3-carbonyl)amino]-3-methyl-isothiazole-4-carboxylic acid ethyl ester Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SN=C1C)NC(=O)C2=CSC3=C2C=CC(=C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SN=C1C)NC(=O)C2=CSC3=C2C=CC(=C3)C(C)(C)C

InChI

InChI=1S/C20H22N2O3S2/c1-6-25-19(24)16-11(2)22-27-18(16)21-17(23)14-10-26-15-9-12(20(3,4)5)7-8-13(14)15/h7-10H,6H2,1-5H3,(H,21,23)