methyl 2-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-3-oxidanyl-propanoate Openeye Name: methyl 2-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-3-hydroxy-propanoate CAS Name: 2-[[3-[(3,4-dimethylphenyl)thio]-1-oxopropyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-3-hydroxypropanoate Traditional Name: 2-[3-[(3,4-dimethylphenyl)thio]propanoylamino]-3-hydroxy-propionic acid methyl ester Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)NC(CO)C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)NC(CO)C(=O)OC)C

InChI

InChI=1S/C15H21NO4S/c1-10-4-5-12(8-11(10)2)21-7-6-14(18)16-13(9-17)15(19)20-3/h4-5,8,13,17H,6-7,9H2,1-3H3,(H,16,18)