2-(2,2-dimethylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: 2-(2,2-dimethylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 2-(2,2-dimethylpropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(2,2-dimethyl-1-oxopropyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: 2-(2,2-dimethylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(pivaloylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C14H18NO3S- MolecularWeight: 280.36262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)[O-]

InChI

InChI=1S/C14H19NO3S/c1-14(2,3)13(18)15-11-10(12(16)17)8-6-4-5-7-9(8)19-11/h4-7H2,1-3H3,(H,15,18)(H,16,17)/p-1