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

Systemtic Name: 1-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonylamino]cyclopentane-1-carboxylic acid Openeye Name: 1-[(6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]cyclopentanecarboxylic acid CAS Name: 1-[[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-oxomethyl]amino]-1-cyclopentanecarboxylic acid IUPAC Name: 1-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid Traditional Name: 1-[(6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]cyclopentanecarboxylic acid Formula: C16H21NO3S MolecularWeight: 307.40784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC=C2C(=O)NC3(CCCC3)C(=O)O

Isomeric SMILES

CC1CCC2=C(C1)SC=C2C(=O)NC3(CCCC3)C(=O)O

InChI

InChI=1S/C16H21NO3S/c1-10-4-5-11-12(9-21-13(11)8-10)14(18)17-16(15(19)20)6-2-3-7-16/h9-10H,2-8H2,1H3,(H,17,18)(H,19,20)