3-methyl-2-[(3-methyl-1-benzothiophen-2-yl)carbonylamino]pentanoic acid

Systemtic Name: 3-methyl-2-[(3-methyl-1-benzothiophen-2-yl)carbonylamino]pentanoic acid Openeye Name: 3-methyl-2-[(3-methylbenzothiophene-2-carbonyl)amino]pentanoic acid CAS Name: 3-methyl-2-[[(3-methyl-1-benzothiophen-2-yl)-oxomethyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[(3-methyl-1-benzothiophene-2-carbonyl)amino]pentanoic acid Traditional Name: 3-methyl-2-[(3-methylbenzothiophene-2-carbonyl)amino]valeric acid Formula: C16H19NO3S MolecularWeight: 305.39196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C1=C(C2=CC=CC=C2S1)C

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)C1=C(C2=CC=CC=C2S1)C

InChI

InChI=1S/C16H19NO3S/c1-4-9(2)13(16(19)20)17-15(18)14-10(3)11-7-5-6-8-12(11)21-14/h5-9,13H,4H2,1-3H3,(H,17,18)(H,19,20)