4-[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonylamino]butanoic acid

Systemtic Name: 4-[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonylamino]butanoic acid Openeye Name: 4-[(2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]butanoic acid CAS Name: 4-[[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-oxomethyl]amino]butanoic acid IUPAC Name: 4-[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]butanoic acid Traditional Name: 4-[(2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]butyric acid Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O4S/c1-9(18)17-15-13(10-5-2-3-6-11(10)22-15)14(21)16-8-4-7-12(19)20/h2-8H2,1H3,(H,16,21)(H,17,18)(H,19,20)