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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2(CCC3=CC=CC=C3C2)CS

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2(CCC3=CC=CC=C3C2)CS

InChI

InChI=1S/C22H25NO3S/c1-26-20(24)19(13-16-7-3-2-4-8-16)23-21(25)22(15-27)12-11-17-9-5-6-10-18(17)14-22/h2-10,19,27H,11-15H2,1H3,(H,23,25)/t19-,22?/m0/s1