methyl 2-(2,3-dihydro-1-benzothiophen-2-ylcarbonylamino)-2-methyl-pentanoate

Systemtic Name: methyl 2-(2,3-dihydro-1-benzothiophen-2-ylcarbonylamino)-2-methyl-pentanoate Openeye Name: methyl 2-(2,3-dihydrobenzothiophene-2-carbonylamino)-2-methyl-pentanoate CAS Name: 2-[[2,3-dihydro-1-benzothiophen-2-yl(oxo)methyl]amino]-2-methylpentanoic acid methyl ester IUPAC Name: methyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-2-methylpentanoate Traditional Name: 2-(2,3-dihydrobenzothiophene-2-carbonylamino)-2-methyl-valeric acid methyl ester Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)OC)NC(=O)C1CC2=CC=CC=C2S1

Isomeric SMILES

CCCC(C)(C(=O)OC)NC(=O)C1CC2=CC=CC=C2S1

InChI

InChI=1S/C16H21NO3S/c1-4-9-16(2,15(19)20-3)17-14(18)13-10-11-7-5-6-8-12(11)21-13/h5-8,13H,4,9-10H2,1-3H3,(H,17,18)