2-[(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]acetic acid CAS Name: 2-[[(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]acetic acid Traditional Name: 2-[(5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]acetic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)NCC(=O)O

Isomeric SMILES

CCC1CCC2=C(C1)C=C(S2)C(=O)NCC(=O)O

InChI

InChI=1S/C13H17NO3S/c1-2-8-3-4-10-9(5-8)6-11(18-10)13(17)14-7-12(15)16/h6,8H,2-5,7H2,1H3,(H,14,17)(H,15,16)