[4-[[(3R)-3-acetamido-3-thiophen-2-yl-propanoyl]oxymethyl]-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene]-ethanoyl-azanium

Systemtic Name: [4-[[(3R)-3-acetamido-3-thiophen-2-yl-propanoyl]oxymethyl]-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene]-ethanoyl-azanium Openeye Name: [4-[[(3R)-3-acetamido-3-(2-thienyl)propanoyl]oxymethyl]-2-hydroxy-5,6,8,8a-tetrahydrochromen-7-ylidene]-acetyl-ammonium CAS Name: [4-[[(3R)-3-acetamido-1-oxo-3-thiophen-2-ylpropoxy]methyl]-2-hydroxy-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene]-acetylammonium IUPAC Name: [4-[[(3R)-3-acetamido-3-thiophen-2-ylpropanoyl]oxymethyl]-2-hydroxy-5,6,8,8a-tetrahydrochromen-7-ylidene]-acetylazanium Traditional Name: [4-[[(3R)-3-acetamido-3-(2-thienyl)propanoyl]oxymethyl]-2-hydroxy-5,6,8,8a-tetrahydrochromen-7-ylidene]-acetyl-ammonium Formula: C21H25N2O6S+ MolecularWeight: 433.498

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC1=C2CCC(=[NH+]C(=O)C)CC2OC(=C1)O)C3=CC=CS3

Isomeric SMILES

CC(=O)N[C@H](CC(=O)OCC1=C2CCC(=[NH+]C(=O)C)CC2OC(=C1)O)C3=CC=CS3

InChI

InChI=1S/C21H24N2O6S/c1-12(24)22-15-5-6-16-14(8-21(27)29-18(16)9-15)11-28-20(26)10-17(23-13(2)25)19-4-3-7-30-19/h3-4,7-8,17-18,27H,5-6,9-11H2,1-2H3,(H,23,25)/p+1/t17-,18?/m1/s1