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

Systemtic Name: [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate Openeye Name: [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxo-ethyl] 2-[(8-chloro-1-naphthyl)sulfanyl]acetate CAS Name: 2-[(8-chloro-1-naphthalenyl)thio]acetic acid [2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate Traditional Name: 2-[(8-chloro-1-naphthyl)thio]acetic acid [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C26H22ClNO3S MolecularWeight: 463.97578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)COC(=O)CSC3=CC=CC4=C3C(=CC=C4)Cl

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)COC(=O)CSC3=CC=CC4=C3C(=CC=C4)Cl

InChI

InChI=1S/C26H22ClNO3S/c1-17-14-21(18(2)28(17)20-10-4-3-5-11-20)23(29)15-31-25(30)16-32-24-13-7-9-19-8-6-12-22(27)26(19)24/h3-14H,15-16H2,1-2H3