methyl 2-(1-aminocarbonyl-4-naphthalen-1-yl-pyrrol-2-yl)-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-(1-aminocarbonyl-4-naphthalen-1-yl-pyrrol-2-yl)-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[1-carbamoyl-4-(1-naphthyl)pyrrol-2-yl]-4-methylsulfanyl-butanoate CAS Name: 2-[1-carbamoyl-4-(1-naphthalenyl)-2-pyrrolyl]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-(1-carbamoyl-4-naphthalen-1-ylpyrrol-2-yl)-4-methylsulfanylbutanoate Traditional Name: 2-[1-carbamoyl-4-(1-naphthyl)pyrrol-2-yl]-4-(methylthio)butyric acid methyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)C1=CC(=CN1C(=O)N)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

COC(=O)C(CCSC)C1=CC(=CN1C(=O)N)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C21H22N2O3S/c1-26-20(24)18(10-11-27-2)19-12-15(13-23(19)21(22)25)17-9-5-7-14-6-3-4-8-16(14)17/h3-9,12-13,18H,10-11H2,1-2H3,(H2,22,25)