(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate Openeye Name: (6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate CAS Name: 3-[(3-chlorophenyl)sulfonylamino]propanoic acid (6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate Traditional Name: 3-[(3-chlorophenyl)sulfonylamino]propionic acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C21H19Cl2NO6S MolecularWeight: 484.34966

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCNS(=O)(=O)C3=CC(=CC=C3)Cl)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCNS(=O)(=O)C3=CC(=CC=C3)Cl)Cl

InChI

InChI=1S/C21H19Cl2NO6S/c1-2-13-8-19-17(11-18(13)23)14(9-21(26)30-19)12-29-20(25)6-7-24-31(27,28)16-5-3-4-15(22)10-16/h3-5,8-11,24H,2,6-7,12H2,1H3