methyl (2S)-2-[2-(8-chloranylnaphthalen-1-yl)sulfanylethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-(8-chloranylnaphthalen-1-yl)sulfanylethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-[(8-chloro-1-naphthyl)sulfanyl]acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-[(8-chloro-1-naphthalenyl)thio]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-[(8-chloro-1-naphthyl)thio]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H20ClNO3S MolecularWeight: 413.9171

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl

InChI

InChI=1S/C22H20ClNO3S/c1-27-22(26)18(13-15-7-3-2-4-8-15)24-20(25)14-28-19-12-6-10-16-9-5-11-17(23)21(16)19/h2-12,18H,13-14H2,1H3,(H,24,25)/t18-/m0/s1