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

Systemtic Name: methyl (2S)-2-[2-(8-chloranylnaphthalen-1-yl)sulfanylethanoylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-2-[[2-[(8-chloro-1-naphthyl)sulfanyl]acetyl]amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[2-[(8-chloro-1-naphthalenyl)thio]-1-oxoethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[[2-[(8-chloro-1-naphthyl)thio]acetyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C16H16ClNO4S MolecularWeight: 353.82054

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)CSC1=CC=CC2=C1C(=CC=C2)Cl

Isomeric SMILES

COC(=O)[C@H](CO)NC(=O)CSC1=CC=CC2=C1C(=CC=C2)Cl

InChI

InChI=1S/C16H16ClNO4S/c1-22-16(21)12(8-19)18-14(20)9-23-13-7-3-5-10-4-2-6-11(17)15(10)13/h2-7,12,19H,8-9H2,1H3,(H,18,20)/t12-/m0/s1