2-(tert-butylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-(tert-butylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-(tert-butylcarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[[(tert-butylamino)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-(tert-butylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-(tert-butylcarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)O

Isomeric SMILES

CC(C)(C)NC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)O

InChI

InChI=1S/C14H20N2O3S/c1-14(2,3)16-13(19)15-11-10(12(17)18)8-6-4-5-7-9(8)20-11/h4-7H2,1-3H3,(H,17,18)(H2,15,16,19)