(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C22H19NO5S2 MolecularWeight: 441.51996

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C22H19NO5S2/c1-13(24)23-17-6-7-18-16(10-20(25)28-19(18)11-17)12-27-21(26)14-2-4-15(5-3-14)22-29-8-9-30-22/h2-7,10-11,22H,8-9,12H2,1H3,(H,23,24)