dimethyl 2-[2-(3-methoxy-3-oxidanylidene-propyl)sulfanylethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-(3-methoxy-3-oxidanylidene-propyl)sulfanylethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(3-methoxy-3-oxo-propyl)sulfanylacetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[(3-methoxy-3-oxopropyl)thio]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(3-methoxy-3-oxopropyl)sulfanylacetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[(3-keto-3-methoxy-propyl)thio]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C16H19NO7S MolecularWeight: 369.38956

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC(=O)NC1=C(C=CC(=C1)C(=O)OC)C(=O)OC

Isomeric SMILES

COC(=O)CCSCC(=O)NC1=C(C=CC(=C1)C(=O)OC)C(=O)OC

InChI

InChI=1S/C16H19NO7S/c1-22-14(19)6-7-25-9-13(18)17-12-8-10(15(20)23-2)4-5-11(12)16(21)24-3/h4-5,8H,6-7,9H2,1-3H3,(H,17,18)