dimethyl 5-[3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[3-(2-thioxo-1,3-benzoxazol-3-yl)propanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[3-(2-thioxo-1,3-benzoxazol-3-yl)propanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H18N2O6S MolecularWeight: 414.43172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CCN2C3=CC=CC=C3OC2=S)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CCN2C3=CC=CC=C3OC2=S)C(=O)OC

InChI

InChI=1S/C20H18N2O6S/c1-26-18(24)12-9-13(19(25)27-2)11-14(10-12)21-17(23)7-8-22-15-5-3-4-6-16(15)28-20(22)29/h3-6,9-11H,7-8H2,1-2H3,(H,21,23)