(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 2-ethylsulfanylbenzoate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 2-ethylsulfanylbenzoate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 2-ethylsulfanylbenzoate CAS Name: 2-(ethylthio)benzoic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 2-ethylsulfanylbenzoate Traditional Name: 2-(ethylthio)benzoic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)NC(=O)C

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)NC(=O)C

InChI

InChI=1S/C21H19NO5S/c1-3-28-19-7-5-4-6-17(19)21(25)26-12-14-10-20(24)27-18-11-15(22-13(2)23)8-9-16(14)18/h4-11H,3,12H2,1-2H3,(H,22,23)