methyl 3-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-(indan-5-ylamino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-(indan-5-ylamino)-2-keto-ethyl]thio]propionic acid methyl ester Formula: C15H19NO3S MolecularWeight: 293.38126

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC(=O)NC1=CC2=C(CCC2)C=C1

Isomeric SMILES

COC(=O)CCSCC(=O)NC1=CC2=C(CCC2)C=C1

InChI

InChI=1S/C15H19NO3S/c1-19-15(18)7-8-20-10-14(17)16-13-6-5-11-3-2-4-12(11)9-13/h5-6,9H,2-4,7-8,10H2,1H3,(H,16,17)