3-sulfanylpropyl 2-(2,3-dihydro-1H-inden-2-ylcarbonylamino)-3-phenyl-propanoate

Systemtic Name: 3-sulfanylpropyl 2-(2,3-dihydro-1H-inden-2-ylcarbonylamino)-3-phenyl-propanoate Openeye Name: 3-sulfanylpropyl 2-(indane-2-carbonylamino)-3-phenyl-propanoate CAS Name: 2-[[2,3-dihydro-1H-inden-2-yl(oxo)methyl]amino]-3-phenylpropanoic acid 3-mercaptopropyl ester IUPAC Name: 3-sulfanylpropyl 2-(2,3-dihydro-1H-indene-2-carbonylamino)-3-phenylpropanoate Traditional Name: 2-(indane-2-carbonylamino)-3-phenyl-propionic acid 3-mercaptopropyl ester Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC2=CC=CC=C21)C(=O)NC(CC3=CC=CC=C3)C(=O)OCCCS

Isomeric SMILES

C1C(CC2=CC=CC=C21)C(=O)NC(CC3=CC=CC=C3)C(=O)OCCCS

InChI

InChI=1S/C22H25NO3S/c24-21(19-14-17-9-4-5-10-18(17)15-19)23-20(22(25)26-11-6-12-27)13-16-7-2-1-3-8-16/h1-5,7-10,19-20,27H,6,11-15H2,(H,23,24)