methyl 4,5-dimethoxy-2-[(4-methyl-2-oxidanylidene-chromen-7-yl)carbamothioylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[(4-methyl-2-oxidanylidene-chromen-7-yl)carbamothioylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[(4-methyl-2-oxo-chromen-7-yl)carbamothioylamino]benzoate CAS Name: 4,5-dimethoxy-2-[[[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[(4-methyl-2-oxochromen-7-yl)carbamothioylamino]benzoate Traditional Name: 2-[(2-keto-4-methyl-chromen-7-yl)thiocarbamoylamino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C21H20N2O6S MolecularWeight: 428.4583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NC3=CC(=C(C=C3C(=O)OC)OC)OC

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NC3=CC(=C(C=C3C(=O)OC)OC)OC

InChI

InChI=1S/C21H20N2O6S/c1-11-7-19(24)29-16-8-12(5-6-13(11)16)22-21(30)23-15-10-18(27-3)17(26-2)9-14(15)20(25)28-4/h5-10H,1-4H3,(H2,22,23,30)