(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[2-(2-oxidanylidenepyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[2-(2-oxidanylidenepyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 2-[2-(2-oxopyrrolidin-1-yl)thiazol-4-yl]acetate CAS Name: 2-[2-(2-oxo-1-pyrrolidinyl)-4-thiazolyl]acetic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-(2-ketopyrrolidino)thiazol-4-yl]acetic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CC3=CSC(=N3)N4CCCC4=O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CC3=CSC(=N3)N4CCCC4=O)C

InChI

InChI=1S/C21H20N2O5S/c1-12-5-6-16-14(8-19(26)28-20(16)13(12)2)10-27-18(25)9-15-11-29-21(22-15)23-7-3-4-17(23)24/h5-6,8,11H,3-4,7,9-10H2,1-2H3