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

Systemtic Name: 3-sulfanylpropyl 2-(2,3-dihydro-1H-inden-2-ylcarbonylamino)-3-naphthalen-2-yl-propanoate Openeye Name: 3-sulfanylpropyl 2-(indane-2-carbonylamino)-3-(2-naphthyl)propanoate CAS Name: 2-[[2,3-dihydro-1H-inden-2-yl(oxo)methyl]amino]-3-(2-naphthalenyl)propanoic acid 3-mercaptopropyl ester IUPAC Name: 3-sulfanylpropyl 2-(2,3-dihydro-1H-indene-2-carbonylamino)-3-naphthalen-2-ylpropanoate Traditional Name: 2-(indane-2-carbonylamino)-3-(2-naphthyl)propionic acid 3-mercaptopropyl ester Formula: C26H27NO3S MolecularWeight: 433.56248

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC2=CC=CC=C21)C(=O)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)OCCCS

Isomeric SMILES

C1C(CC2=CC=CC=C21)C(=O)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)OCCCS

InChI

InChI=1S/C26H27NO3S/c28-25(23-16-21-8-3-4-9-22(21)17-23)27-24(26(29)30-12-5-13-31)15-18-10-11-19-6-1-2-7-20(19)14-18/h1-4,6-11,14,23-24,31H,5,12-13,15-17H2,(H,27,28)