dimethyl 5-(1,3-benzodioxol-5-ylcarbamothioylamino)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(1,3-benzodioxol-5-ylcarbamothioylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(1,3-benzodioxol-5-ylcarbamothioylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(1,3-benzodioxol-5-ylcarbamothioylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(1,3-benzodioxol-5-ylthiocarbamoylamino)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H16N2O6S MolecularWeight: 388.39444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC3=C(C=C2)OCO3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC3=C(C=C2)OCO3)C(=O)OC

InChI

InChI=1S/C18H16N2O6S/c1-23-16(21)10-5-11(17(22)24-2)7-13(6-10)20-18(27)19-12-3-4-14-15(8-12)26-9-25-14/h3-8H,9H2,1-2H3,(H2,19,20,27)