2-(2,3-dihydro-1-benzothiophen-2-ylcarbonylamino)-3-oxidanyl-propanoic acid

Systemtic Name: 2-(2,3-dihydro-1-benzothiophen-2-ylcarbonylamino)-3-oxidanyl-propanoic acid Openeye Name: 2-(2,3-dihydrobenzothiophene-2-carbonylamino)-3-hydroxy-propanoic acid CAS Name: 2-[[2,3-dihydro-1-benzothiophen-2-yl(oxo)methyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-3-hydroxypropanoic acid Traditional Name: 2-(2,3-dihydrobenzothiophene-2-carbonylamino)-3-hydroxy-propionic acid Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC2=CC=CC=C21)C(=O)NC(CO)C(=O)O

Isomeric SMILES

C1C(SC2=CC=CC=C21)C(=O)NC(CO)C(=O)O

InChI

InChI=1S/C12H13NO4S/c14-6-8(12(16)17)13-11(15)10-5-7-3-1-2-4-9(7)18-10/h1-4,8,10,14H,5-6H2,(H,13,15)(H,16,17)