methyl 5-[[2-(methoxymethyl)-5-methyl-oxolan-3-yl]carbamothioylamino]-2-(3-methoxy-6-oxidanylidene-xanthen-9-yl)benzoate

Systemtic Name: methyl 5-[[2-(methoxymethyl)-5-methyl-oxolan-3-yl]carbamothioylamino]-2-(3-methoxy-6-oxidanylidene-xanthen-9-yl)benzoate Openeye Name: methyl 5-[[2-(methoxymethyl)-5-methyl-tetrahydrofuran-3-yl]carbamothioylamino]-2-(3-methoxy-6-oxo-xanthen-9-yl)benzoate CAS Name: 5-[[[[2-(methoxymethyl)-5-methyl-3-oxolanyl]amino]-sulfanylidenemethyl]amino]-2-(3-methoxy-6-oxo-9-xanthenyl)benzoic acid methyl ester IUPAC Name: methyl 5-[[2-(methoxymethyl)-5-methyloxolan-3-yl]carbamothioylamino]-2-(3-methoxy-6-oxoxanthen-9-yl)benzoate Traditional Name: 2-(3-keto-6-methoxy-xanthen-9-yl)-5-[[2-(methoxymethyl)-5-methyl-tetrahydrofuran-3-yl]thiocarbamoylamino]benzoic acid methyl ester Formula: C30H30N2O7S MolecularWeight: 562.6334

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(O1)COC)NC(=S)NC2=CC(=C(C=C2)C3=C4C=CC(=O)C=C4OC5=C3C=CC(=C5)OC)C(=O)OC

Isomeric SMILES

CC1CC(C(O1)COC)NC(=S)NC2=CC(=C(C=C2)C3=C4C=CC(=O)C=C4OC5=C3C=CC(=C5)OC)C(=O)OC

InChI

InChI=1S/C30H30N2O7S/c1-16-11-24(27(38-16)15-35-2)32-30(40)31-17-5-8-20(23(12-17)29(34)37-4)28-21-9-6-18(33)13-25(21)39-26-14-19(36-3)7-10-22(26)28/h5-10,12-14,16,24,27H,11,15H2,1-4H3,(H2,31,32,40)