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

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] (2R)-2-phenylsulfanylpropanoate Openeye Name: [2-(indan-5-ylamino)-2-oxo-ethyl] (2R)-2-phenylsulfanylpropanoate CAS Name: (2R)-2-(phenylthio)propanoic acid [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] (2R)-2-phenylsulfanylpropanoate Traditional Name: (2R)-2-(phenylthio)propionic acid [2-(indan-5-ylamino)-2-keto-ethyl] ester Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=CC2=C(CCC2)C=C1)SC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NC1=CC2=C(CCC2)C=C1)SC3=CC=CC=C3

InChI

InChI=1S/C20H21NO3S/c1-14(25-18-8-3-2-4-9-18)20(23)24-13-19(22)21-17-11-10-15-6-5-7-16(15)12-17/h2-4,8-12,14H,5-7,13H2,1H3,(H,21,22)/t14-/m1/s1