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

Systemtic Name: 2-[2-(butylazaniumyl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 2-[[2-(butylammonio)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(butylammonio)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: 2-[[2-(butylazaniumyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(butylammonio)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)[O-]

Isomeric SMILES

CCCC[NH2+]CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)[O-]

InChI

InChI=1S/C15H22N2O3S/c1-2-3-8-16-9-12(18)17-14-13(15(19)20)10-6-4-5-7-11(10)21-14/h16H,2-9H2,1H3,(H,17,18)(H,19,20)