(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 3-acetamido-3-thiophen-2-yl-propanoate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 3-acetamido-3-thiophen-2-yl-propanoate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 3-acetamido-3-(2-thienyl)propanoate CAS Name: 3-acetamido-3-thiophen-2-ylpropanoic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 3-acetamido-3-thiophen-2-ylpropanoate Traditional Name: 3-acetamido-3-(2-thienyl)propionic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C21H20N2O6S MolecularWeight: 428.4583

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CC(C3=CC=CS3)NC(=O)C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CC(C3=CC=CS3)NC(=O)C

InChI

InChI=1S/C21H20N2O6S/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/h3-9,17H,10-11H2,1-2H3,(H,22,24)(H,23,25)