dimethyl 5-[2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(2-anilino-2-oxo-ethyl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(2-anilino-2-oxoethyl)thio]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(2-anilino-2-oxoethyl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(2-anilino-2-keto-ethyl)thio]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CSCC(=O)NC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CSCC(=O)NC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C20H20N2O6S/c1-27-19(25)13-8-14(20(26)28-2)10-16(9-13)22-18(24)12-29-11-17(23)21-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,21,23)(H,22,24)