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5-methyl-1-(2-methyl-3-sulfanyl-propanoyl)-2,3-dihydroindole-2-carboxylic acid

5-methyl-1-(2-methyl-3-sulfanyl-propanoyl)-2,3-dihydroindole-2-carboxylic acid

Systemtic Name:5-methyl-1-(2-methyl-3-sulfanyl-propanoyl)-2,3-dihydroindole-2-carboxylic acid
Openeye Name:5-methyl-1-(2-methyl-3-sulfanyl-propanoyl)indoline-2-carboxylic acid
CAS Name:1-(3-mercapto-2-methyl-1-oxopropyl)-5-methyl-2,3-dihydroindole-2-carboxylic acid
IUPAC Name:5-methyl-1-(2-methyl-3-sulfanylpropanoyl)-2,3-dihydroindole-2-carboxylic acid
Traditional Name:1-(3-mercapto-2-methyl-propanoyl)-5-methyl-indoline-2-carboxylic acid
Formula: C14H17NO3S
MolecularWeight: 279.35468
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(C2)C(=O)O)C(=O)C(C)CS


Isomeric SMILES

CC1=CC2=C(C=C1)N(C(C2)C(=O)O)C(=O)C(C)CS


InChI

InChI=1S/C14H17NO3S/c1-8-3-4-11-10(5-8)6-12(14(17)18)15(11)13(16)9(2)7-19/h3-5,9,12,19H,6-7H2,1-2H3,(H,17,18)


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