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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSCCC(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSCCC(=O)OC

InChI

InChI=1S/C15H19NO5S/c1-10-4-5-11(15(19)21-3)8-12(10)16-13(17)9-22-7-6-14(18)20-2/h4-5,8H,6-7,9H2,1-3H3,(H,16,17)