2-azanylethanol; 2-[[4-(3-methoxy-4-oxidanyl-phenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-azanylethanol; 2-[[4-(3-methoxy-4-oxidanyl-phenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-aminoethanol; 2-[[4-(4-hydroxy-3-methoxy-phenyl)thiazol-2-yl]amino]-2-oxo-acetic acid CAS Name: 2-aminoethanol; 2-[[4-(4-hydroxy-3-methoxyphenyl)-2-thiazolyl]amino]-2-oxoacetic acid IUPAC Name: 2-aminoethanol; 2-[[4-(4-hydroxy-3-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid Traditional Name: 2-aminoethanol; 2-[[4-(4-hydroxy-3-methoxy-phenyl)thiazol-2-yl]amino]-2-keto-acetic acid Formula: C14H17N3O6S MolecularWeight: 355.36628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CSC(=N2)NC(=O)C(=O)O)O.C(CO)N

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CSC(=N2)NC(=O)C(=O)O)O.C(CO)N

InChI

InChI=1S/C12H10N2O5S.C2H7NO/c1-19-9-4-6(2-3-8(9)15)7-5-20-12(13-7)14-10(16)11(17)18;3-1-2-4/h2-5,15H,1H3,(H,17,18)(H,13,14,16);4H,1-3H2