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

Systemtic Name: 2-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]propanoic acid CAS Name: 3-hydroxy-2-[[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]propanoic acid Traditional Name: 3-hydroxy-2-[(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]propionic acid Formula: C13H17NO4S MolecularWeight: 283.34338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4S/c1-7-2-3-10-8(4-7)5-11(19-10)12(16)14-9(6-15)13(17)18/h5,7,9,15H,2-4,6H2,1H3,(H,14,16)(H,17,18)