methyl 3-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[(2-indan-5-ylsulfanylacetyl)amino]-3-phenyl-propanoate CAS Name: 3-[[2-(2,3-dihydro-1H-inden-5-ylthio)-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-3-phenylpropanoate Traditional Name: 3-[[2-(indan-5-ylthio)acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)NC(=O)CSC2=CC3=C(CCC3)C=C2

Isomeric SMILES

COC(=O)CC(C1=CC=CC=C1)NC(=O)CSC2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C21H23NO3S/c1-25-21(24)13-19(16-6-3-2-4-7-16)22-20(23)14-26-18-11-10-15-8-5-9-17(15)12-18/h2-4,6-7,10-12,19H,5,8-9,13-14H2,1H3,(H,22,23)