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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C1=CSC2=C1CCC(C2)C

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)C1=CSC2=C1CCC(C2)C

InChI

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