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

Systemtic Name: 2-[(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]butanoic acid Openeye Name: 2-[(5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]butanoic acid CAS Name: 2-[[(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]amino]butanoic acid IUPAC Name: 2-[(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]butanoic acid Traditional Name: 2-[(5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]butyric acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)NC(CC)C(=O)O

Isomeric SMILES

CCC1CCC2=C(C1)C=C(S2)C(=O)NC(CC)C(=O)O

InChI

InChI=1S/C15H21NO3S/c1-3-9-5-6-12-10(7-9)8-13(20-12)14(17)16-11(4-2)15(18)19/h8-9,11H,3-7H2,1-2H3,(H,16,17)(H,18,19)