ethyl 3-[1-methyl-5-(4-methylphenyl)carbothioyl-pyrrol-2-yl]propanoate

Systemtic Name: ethyl 3-[1-methyl-5-(4-methylphenyl)carbothioyl-pyrrol-2-yl]propanoate Openeye Name: ethyl 3-[1-methyl-5-(4-methylbenzenecarbothioyl)pyrrol-2-yl]propanoate CAS Name: 3-[1-methyl-5-[(4-methylphenyl)-sulfanylidenemethyl]-2-pyrrolyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[1-methyl-5-(4-methylbenzenecarbothioyl)pyrrol-2-yl]propanoate Traditional Name: 3-[1-methyl-5-(4-methylthiobenzoyl)pyrrol-2-yl]propionic acid ethyl ester Formula: C18H21NO2S MolecularWeight: 315.42984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC=C(N1C)C(=S)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)CCC1=CC=C(N1C)C(=S)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H21NO2S/c1-4-21-17(20)12-10-15-9-11-16(19(15)3)18(22)14-7-5-13(2)6-8-14/h5-9,11H,4,10,12H2,1-3H3