methyl 2-[2-(2-methylbutan-2-ylamino)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(2-methylbutan-2-ylamino)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(1,1-dimethylpropylamino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(2-methylbutan-2-ylamino)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2-methylbutan-2-ylamino)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(tert-amylamino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C17H26N2O3S MolecularWeight: 338.46494

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC

Isomeric SMILES

CCC(C)(C)NCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC

InChI

InChI=1S/C17H26N2O3S/c1-5-17(2,3)18-10-13(20)19-15-14(16(21)22-4)11-8-6-7-9-12(11)23-15/h18H,5-10H2,1-4H3,(H,19,20)