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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3S/c1-2-10-5-6-12-11(8-10)9-13(20-12)15(19)16-7-3-4-14(17)18/h9-10H,2-8H2,1H3,(H,16,19)(H,17,18)