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

Systemtic Name: 3-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]propanoic acid Openeye Name: 3-[(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]propanoic acid CAS Name: 3-[[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]propanoic acid Traditional Name: 3-[(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]propionic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NCCC(=O)O

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)NCCC(=O)O

InChI

InChI=1S/C13H17NO3S/c1-8-2-3-10-9(6-8)7-11(18-10)13(17)14-5-4-12(15)16/h7-8H,2-6H2,1H3,(H,14,17)(H,15,16)