dimethyl 2-[(4-methyl-2-oxidanylidene-chromen-7-yl)carbamothioylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[(4-methyl-2-oxidanylidene-chromen-7-yl)carbamothioylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[(4-methyl-2-oxo-chromen-7-yl)carbamothioylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(4-methyl-2-oxochromen-7-yl)carbamothioylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[(2-keto-4-methyl-chromen-7-yl)thiocarbamoylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C21H18N2O6S MolecularWeight: 426.44242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H18N2O6S/c1-11-8-18(24)29-17-10-13(5-7-14(11)17)22-21(30)23-16-9-12(19(25)27-2)4-6-15(16)20(26)28-3/h4-10H,1-3H3,(H2,22,23,30)