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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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