2-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-3-oxidanyl-propanoic acid Openeye Name: 2-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-3-hydroxy-propanoic acid CAS Name: 2-[[3-[(3,4-dimethylphenyl)thio]-1-oxopropyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-3-hydroxypropanoic acid Traditional Name: 2-[3-[(3,4-dimethylphenyl)thio]propanoylamino]-3-hydroxy-propionic acid Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO4S/c1-9-3-4-11(7-10(9)2)20-6-5-13(17)15-12(8-16)14(18)19/h3-4,7,12,16H,5-6,8H2,1-2H3,(H,15,17)(H,18,19)