(phenylmethyl) 2-[2-(8-chloranylnaphthalen-1-yl)sulfanylethanoylamino]ethanoate

Systemtic Name: (phenylmethyl) 2-[2-(8-chloranylnaphthalen-1-yl)sulfanylethanoylamino]ethanoate Openeye Name: benzyl 2-[[2-[(8-chloro-1-naphthyl)sulfanyl]acetyl]amino]acetate CAS Name: 2-[[2-[(8-chloro-1-naphthalenyl)thio]-1-oxoethyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[(8-chloro-1-naphthyl)thio]acetyl]amino]acetic acid benzyl ester Formula: C21H18ClNO3S MolecularWeight: 399.89052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClNO3S/c22-17-10-4-8-16-9-5-11-18(21(16)17)27-14-19(24)23-12-20(25)26-13-15-6-2-1-3-7-15/h1-11H,12-14H2,(H,23,24)