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

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate Openeye Name: (6-chloro-7-ethyl-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-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoic acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C25H24ClNO5S MolecularWeight: 485.97976

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=CC=C3SCC(=O)N4CCCC4)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=CC=C3SCC(=O)N4CCCC4)Cl

InChI

InChI=1S/C25H24ClNO5S/c1-2-16-11-21-19(13-20(16)26)17(12-24(29)32-21)14-31-25(30)18-7-3-4-8-22(18)33-15-23(28)27-9-5-6-10-27/h3-4,7-8,11-13H,2,5-6,9-10,14-15H2,1H3