2-(propan-2-ylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-(propan-2-ylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-(isopropylcarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[[oxo-(propan-2-ylamino)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-(propan-2-ylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-(isopropylcarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3S/c1-7(2)14-13(18)15-11-10(12(16)17)8-5-3-4-6-9(8)19-11/h7H,3-6H2,1-2H3,(H,16,17)(H2,14,15,18)