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

Systemtic Name: diethyl 2-[(4-methyl-2-oxidanylidene-chromen-7-yl)carbamothioylamino]benzene-1,4-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C23H22N2O6S MolecularWeight: 454.49558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)C(=O)OCC)NC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)C(=O)OCC)NC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C

InChI

InChI=1S/C23H22N2O6S/c1-4-29-21(27)14-6-8-17(22(28)30-5-2)18(11-14)25-23(32)24-15-7-9-16-13(3)10-20(26)31-19(16)12-15/h6-12H,4-5H2,1-3H3,(H2,24,25,32)