ethyl 5-[2-[2-(8-chloranylnaphthalen-1-yl)sulfanylethanoyloxy]ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-[2-(8-chloranylnaphthalen-1-yl)sulfanylethanoyloxy]ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[2-[(8-chloro-1-naphthyl)sulfanyl]acetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[2-[(8-chloro-1-naphthalenyl)thio]-1-oxoethoxy]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[2-[(8-chloro-1-naphthyl)thio]acetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C23H22ClNO5S MolecularWeight: 459.94248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl)C

InChI

InChI=1S/C23H22ClNO5S/c1-4-29-23(28)20-13(2)22(25-14(20)3)17(26)11-30-19(27)12-31-18-10-6-8-15-7-5-9-16(24)21(15)18/h5-10,25H,4,11-12H2,1-3H3