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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate Openeye Name: (6-chloro-7-methyl-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-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-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-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C24H22ClNO5S MolecularWeight: 471.95318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=CC=C3SCC(=O)N4CCCC4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=CC=C3SCC(=O)N4CCCC4)Cl

InChI

InChI=1S/C24H22ClNO5S/c1-15-10-20-18(12-19(15)25)16(11-23(28)31-20)13-30-24(29)17-6-2-3-7-21(17)32-14-22(27)26-8-4-5-9-26/h2-3,6-7,10-12H,4-5,8-9,13-14H2,1H3