methyl 3-(5-thiocyanato-2,3-dihydroindol-1-yl)propanoate

Systemtic Name: methyl 3-(5-thiocyanato-2,3-dihydroindol-1-yl)propanoate Openeye Name: methyl 3-(5-thiocyanatoindolin-1-yl)propanoate CAS Name: 3-(5-thiocyanato-2,3-dihydroindol-1-yl)propanoic acid methyl ester IUPAC Name: methyl 3-(5-thiocyanato-2,3-dihydroindol-1-yl)propanoate Traditional Name: 3-(5-thiocyanatoindolin-1-yl)propionic acid methyl ester Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CCC2=C1C=CC(=C2)SC#N

Isomeric SMILES

COC(=O)CCN1CCC2=C1C=CC(=C2)SC#N

InChI

InChI=1S/C13H14N2O2S/c1-17-13(16)5-7-15-6-4-10-8-11(18-9-14)2-3-12(10)15/h2-3,8H,4-7H2,1H3