methyl 2-[2-(2-methyl-3-propyl-pyrrol-1-yl)ethylsulfanyl]ethanoate

Systemtic Name: methyl 2-[2-(2-methyl-3-propyl-pyrrol-1-yl)ethylsulfanyl]ethanoate Openeye Name: methyl 2-[2-(2-methyl-3-propyl-pyrrol-1-yl)ethylsulfanyl]acetate CAS Name: 2-[2-(2-methyl-3-propyl-1-pyrrolyl)ethylthio]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2-methyl-3-propylpyrrol-1-yl)ethylsulfanyl]acetate Traditional Name: 2-[2-(2-methyl-3-propyl-pyrrol-1-yl)ethylthio]acetic acid methyl ester Formula: C13H21NO2S MolecularWeight: 255.37634

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N(C=C1)CCSCC(=O)OC)C

Isomeric SMILES

CCCC1=C(N(C=C1)CCSCC(=O)OC)C

InChI

InChI=1S/C13H21NO2S/c1-4-5-12-6-7-14(11(12)2)8-9-17-10-13(15)16-3/h6-7H,4-5,8-10H2,1-3H3