[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate Openeye Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-[(8-chloro-1-naphthyl)sulfanyl]acetate CAS Name: 2-[(8-chloro-1-naphthalenyl)thio]acetic acid [2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl] ester IUPAC Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate Traditional Name: 2-[(8-chloro-1-naphthyl)thio]acetic acid [2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] ester Formula: C21H20ClNO3S MolecularWeight: 401.9064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)COC(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)COC(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl

InChI

InChI=1S/C21H20ClNO3S/c1-13-10-16(14(2)23(13)3)18(24)11-26-20(25)12-27-19-9-5-7-15-6-4-8-17(22)21(15)19/h4-10H,11-12H2,1-3H3