(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate Openeye Name: (6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl 3-[(3,5-dimethylisoxazol-4-yl)sulfonylamino]propanoate CAS Name: 3-[(3,5-dimethyl-4-isoxazolyl)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-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate Traditional Name: 3-[(3,5-dimethylisoxazol-4-yl)sulfonylamino]propionic acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C20H21ClN2O7S MolecularWeight: 468.90794

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCNS(=O)(=O)C3=C(ON=C3C)C)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCNS(=O)(=O)C3=C(ON=C3C)C)Cl

InChI

InChI=1S/C20H21ClN2O7S/c1-4-13-7-17-15(9-16(13)21)14(8-19(25)29-17)10-28-18(24)5-6-22-31(26,27)20-11(2)23-30-12(20)3/h7-9,22H,4-6,10H2,1-3H3