methyl 3-[2,5-dimethyl-3-(2-naphthalen-2-ylsulfanylethanoyl)pyrrol-1-yl]propanoate

Systemtic Name: methyl 3-[2,5-dimethyl-3-(2-naphthalen-2-ylsulfanylethanoyl)pyrrol-1-yl]propanoate Openeye Name: methyl 3-[2,5-dimethyl-3-[2-(2-naphthylsulfanyl)acetyl]pyrrol-1-yl]propanoate CAS Name: 3-[2,5-dimethyl-3-[2-(2-naphthalenylthio)-1-oxoethyl]-1-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2,5-dimethyl-3-(2-naphthalen-2-ylsulfanylacetyl)pyrrol-1-yl]propanoate Traditional Name: 3-[2,5-dimethyl-3-[2-(2-naphthylthio)acetyl]pyrrol-1-yl]propionic acid methyl ester Formula: C22H23NO3S MolecularWeight: 381.48792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(=O)OC)C)C(=O)CSC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=CC(=C(N1CCC(=O)OC)C)C(=O)CSC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H23NO3S/c1-15-12-20(16(2)23(15)11-10-22(25)26-3)21(24)14-27-19-9-8-17-6-4-5-7-18(17)13-19/h4-9,12-13H,10-11,14H2,1-3H3