2-[[3-(hydroxymethyl)-6-oxidanyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[3-(hydroxymethyl)-6-oxidanyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[[6-hydroxy-3-(hydroxymethyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-oxo-acetic acid CAS Name: 2-[[6-hydroxy-3-(hydroxymethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoacetic acid IUPAC Name: 2-[[6-hydroxy-3-(hydroxymethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoacetic acid Traditional Name: 2-[(6-hydroxy-3-methylol-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-acetic acid Formula: C11H13NO5S MolecularWeight: 271.28962

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1O)SC(=C2CO)NC(=O)C(=O)O

Isomeric SMILES

C1CC2=C(CC1O)SC(=C2CO)NC(=O)C(=O)O

InChI

InChI=1S/C11H13NO5S/c13-4-7-6-2-1-5(14)3-8(6)18-10(7)12-9(15)11(16)17/h5,13-14H,1-4H2,(H,12,15)(H,16,17)