(7-ethanoylimino-2-oxidanyl-5,6,8,8a-tetrahydrochromen-4-yl)methyl (3R)-3-acetamido-3-thiophen-2-yl-propanoate

Systemtic Name: (7-ethanoylimino-2-oxidanyl-5,6,8,8a-tetrahydrochromen-4-yl)methyl (3R)-3-acetamido-3-thiophen-2-yl-propanoate Openeye Name: (7-acetylimino-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methyl (3R)-3-acetamido-3-(2-thienyl)propanoate CAS Name: (3R)-3-acetamido-3-thiophen-2-ylpropanoic acid (7-acetylimino-2-hydroxy-5,6,8,8a-tetrahydro-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetylimino-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methyl (3R)-3-acetamido-3-thiophen-2-ylpropanoate Traditional Name: (3R)-3-acetamido-3-(2-thienyl)propionic acid (7-acetylimino-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methyl ester Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC1=C2CCC(=NC(=O)C)CC2OC(=C1)O)C3=CC=CS3

Isomeric SMILES

CC(=O)N[C@H](CC(=O)OCC1=C2CCC(=NC(=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)/t17-,18?/m1/s1