methyl 2-[2-(2,5-dimethylphenyl)sulfanylethanoylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[2-(2,5-dimethylphenyl)sulfanylethanoylamino]-3-oxidanyl-propanoate Openeye Name: methyl 2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-3-hydroxy-propanoate CAS Name: 2-[[2-[(2,5-dimethylphenyl)thio]-1-oxoethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-3-hydroxypropanoate Traditional Name: 2-[[2-[(2,5-dimethylphenyl)thio]acetyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)NC(CO)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)NC(CO)C(=O)OC

InChI

InChI=1S/C14H19NO4S/c1-9-4-5-10(2)12(6-9)20-8-13(17)15-11(7-16)14(18)19-3/h4-6,11,16H,7-8H2,1-3H3,(H,15,17)