methyl 4-[[2-(3-methoxy-3-oxidanylidene-propyl)sulfanylethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(3-methoxy-3-oxidanylidene-propyl)sulfanylethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(3-methoxy-3-oxo-propyl)sulfanylacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(3-methoxy-3-oxopropyl)thio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(3-methoxy-3-oxopropyl)sulfanylacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(3-keto-3-methoxy-propyl)thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C15H19NO5S MolecularWeight: 325.38006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC(=O)NCC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

COC(=O)CCSCC(=O)NCC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C15H19NO5S/c1-20-14(18)7-8-22-10-13(17)16-9-11-3-5-12(6-4-11)15(19)21-2/h3-6H,7-10H2,1-2H3,(H,16,17)