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

Systemtic Name: 4-[(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonyl-methyl-amino]butanoic acid Openeye Name: 4-[(5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)-methyl-amino]butanoic acid CAS Name: 4-[[(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]-methylamino]butanoic acid IUPAC Name: 4-[(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-methylamino]butanoic acid Traditional Name: 4-[(5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)-methyl-amino]butyric acid Formula: C16H23NO3S MolecularWeight: 309.42372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)N(C)CCCC(=O)O

Isomeric SMILES

CCC1CCC2=C(C1)C=C(S2)C(=O)N(C)CCCC(=O)O

InChI

InChI=1S/C16H23NO3S/c1-3-11-6-7-13-12(9-11)10-14(21-13)16(20)17(2)8-4-5-15(18)19/h10-11H,3-9H2,1-2H3,(H,18,19)