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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC=C2C(=O)NC(CO)C(=O)O

Isomeric SMILES

CC1CCC2=C(C1)SC=C2C(=O)NC(CO)C(=O)O

InChI

InChI=1S/C13H17NO4S/c1-7-2-3-8-9(6-19-11(8)4-7)12(16)14-10(5-15)13(17)18/h6-7,10,15H,2-5H2,1H3,(H,14,16)(H,17,18)