(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C25H25NO5S MolecularWeight: 451.5347

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC=C3SCC(=O)N4CCCC4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC=C3SCC(=O)N4CCCC4)C

InChI

InChI=1S/C25H25NO5S/c1-16-11-20-18(13-24(28)31-21(20)12-17(16)2)14-30-25(29)19-7-3-4-8-22(19)32-15-23(27)26-9-5-6-10-26/h3-4,7-8,11-13H,5-6,9-10,14-15H2,1-2H3