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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3S/c1-8(2)13(15(18)19)16-14(17)12-7-10-6-9(3)4-5-11(10)20-12/h7-9,13H,4-6H2,1-3H3,(H,16,17)(H,18,19)