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

Systemtic Name: 2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]acetic acid CAS Name: 2-[[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]acetic acid Traditional Name: 2-[(6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]acetic acid Formula: C12H15NO3S MolecularWeight: 253.3174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC=C2C(=O)NCC(=O)O

Isomeric SMILES

CC1CCC2=C(C1)SC=C2C(=O)NCC(=O)O

InChI

InChI=1S/C12H15NO3S/c1-7-2-3-8-9(6-17-10(8)4-7)12(16)13-5-11(14)15/h6-7H,2-5H2,1H3,(H,13,16)(H,14,15)