(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(thiophen-2-ylsulfonylamino)propanoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(thiophen-2-ylsulfonylamino)propanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 3-(2-thienylsulfonylamino)propanoate CAS Name: 3-(thiophen-2-ylsulfonylamino)propanoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 3-(thiophen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-thienylsulfonylamino)propionic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C19H19NO6S2 MolecularWeight: 421.48726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CCNS(=O)(=O)C3=CC=CS3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CCNS(=O)(=O)C3=CC=CS3)C

InChI

InChI=1S/C19H19NO6S2/c1-12-5-6-15-14(10-17(22)26-19(15)13(12)2)11-25-16(21)7-8-20-28(23,24)18-4-3-9-27-18/h3-6,9-10,20H,7-8,11H2,1-2H3