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

Systemtic Name: 4-methyl-2-[(3-methyl-1-benzothiophen-2-yl)carbonylamino]pentanoic acid Openeye Name: 4-methyl-2-[(3-methylbenzothiophene-2-carbonyl)amino]pentanoic acid CAS Name: 4-methyl-2-[[(3-methyl-1-benzothiophen-2-yl)-oxomethyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[(3-methyl-1-benzothiophene-2-carbonyl)amino]pentanoic acid Traditional Name: 4-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:

CC1=C(SC2=CC=CC=C12)C(=O)NC(CC(C)C)C(=O)O

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)NC(CC(C)C)C(=O)O

InChI

InChI=1S/C16H19NO3S/c1-9(2)8-12(16(19)20)17-15(18)14-10(3)11-6-4-5-7-13(11)21-14/h4-7,9,12H,8H2,1-3H3,(H,17,18)(H,19,20)