(phenylmethyl) (2S)-2-[[2-(sulfanylmethyl)-3,4-dihydro-1H-naphthalen-2-yl]carbonylamino]propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[2-(sulfanylmethyl)-3,4-dihydro-1H-naphthalen-2-yl]carbonylamino]propanoate Openeye Name: benzyl (2S)-2-[[2-(sulfanylmethyl)tetralin-2-carbonyl]amino]propanoate CAS Name: (2S)-2-[[[2-(mercaptomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[2-(sulfanylmethyl)-3,4-dihydro-1H-naphthalene-2-carbonyl]amino]propanoate Traditional Name: (2S)-2-[[2-(mercaptomethyl)tetralin-2-carbonyl]amino]propionic acid benzyl ester Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)NC(=O)C2(CCC3=CC=CC=C3C2)CS

Isomeric SMILES

C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C2(CCC3=CC=CC=C3C2)CS

InChI

InChI=1S/C22H25NO3S/c1-16(20(24)26-14-17-7-3-2-4-8-17)23-21(25)22(15-27)12-11-18-9-5-6-10-19(18)13-22/h2-10,16,27H,11-15H2,1H3,(H,23,25)/t16-,22?/m0/s1