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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CCC1CCC2=C(C1)C=C(S2)C(=O)NC(C(C)C)C(=O)O

InChI

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