(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 2-[2-(2-methoxyethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(2-methoxyethylamino)-2-oxoethyl]thio]benzoic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(2-methoxyethylamino)ethyl]thio]benzoic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C26H29NO6S MolecularWeight: 483.57656

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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)NCCOC)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO6S/c1-16(2)20-13-21-18(12-25(29)33-22(21)11-17(20)3)14-32-26(30)19-7-5-6-8-23(19)34-15-24(28)27-9-10-31-4/h5-8,11-13,16H,9-10,14-15H2,1-4H3,(H,27,28)