[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 2-[(8-chloro-1-naphthyl)sulfanyl]acetate CAS Name: 2-[(8-chloro-1-naphthalenyl)thio]acetic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate Traditional Name: 2-[(8-chloro-1-naphthyl)thio]acetic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C19H22ClNO3S MolecularWeight: 379.90088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClNO3S/c1-13(2)9-10-21-17(22)11-24-18(23)12-25-16-8-4-6-14-5-3-7-15(20)19(14)16/h3-8,13H,9-12H2,1-2H3,(H,21,22)