methyl 4-[2-(8-chloranylnaphthalen-1-yl)sulfanylethanoylamino]butanoate

Systemtic Name: methyl 4-[2-(8-chloranylnaphthalen-1-yl)sulfanylethanoylamino]butanoate Openeye Name: methyl 4-[[2-[(8-chloro-1-naphthyl)sulfanyl]acetyl]amino]butanoate CAS Name: 4-[[2-[(8-chloro-1-naphthalenyl)thio]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[(8-chloro-1-naphthyl)thio]acetyl]amino]butyric acid methyl ester Formula: C17H18ClNO3S MolecularWeight: 351.84772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)CSC1=CC=CC2=C1C(=CC=C2)Cl

Isomeric SMILES

COC(=O)CCCNC(=O)CSC1=CC=CC2=C1C(=CC=C2)Cl

InChI

InChI=1S/C17H18ClNO3S/c1-22-16(21)9-4-10-19-15(20)11-23-14-8-3-6-12-5-2-7-13(18)17(12)14/h2-3,5-8H,4,9-11H2,1H3,(H,19,20)