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

Systemtic Name: 3,3-dimethyl-2-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]butanoic acid Openeye Name: 3,3-dimethyl-2-[(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]butanoic acid CAS Name: 3,3-dimethyl-2-[[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]amino]butanoic acid IUPAC Name: 3,3-dimethyl-2-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]butanoic acid Traditional Name: 3,3-dimethyl-2-[(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]butyric acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3S/c1-9-5-6-11-10(7-9)8-12(21-11)14(18)17-13(15(19)20)16(2,3)4/h8-9,13H,5-7H2,1-4H3,(H,17,18)(H,19,20)