[1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylamino)-1-oxopropan-2-yl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H25NO3S MolecularWeight: 323.4503

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OC(C)C(=O)NC(C)(C)C

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)OC(C)C(=O)NC(C)(C)C

InChI

InChI=1S/C17H25NO3S/c1-10-6-7-13-12(8-10)9-14(22-13)16(20)21-11(2)15(19)18-17(3,4)5/h9-11H,6-8H2,1-5H3,(H,18,19)