[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 2-[(8-chloro-1-naphthyl)sulfanyl]acetate CAS Name: 2-[(8-chloro-1-naphthalenyl)thio]acetic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate Traditional Name: 2-[(8-chloro-1-naphthyl)thio]acetic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C18H20ClNO3S MolecularWeight: 365.8743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClNO3S/c1-12(2)9-20-16(21)10-23-17(22)11-24-15-8-4-6-13-5-3-7-14(19)18(13)15/h3-8,12H,9-11H2,1-2H3,(H,20,21)