ethyl 3,5-dimethyl-4-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-4-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[(E)-3-[4-(methylthio)phenyl]-1-oxoprop-2-enyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-[(E)-3-[4-(methylthio)phenyl]acryloyl]-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)C=CC2=CC=C(C=C2)SC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)/C=C/C2=CC=C(C=C2)SC)C

InChI

InChI=1S/C19H21NO3S/c1-5-23-19(22)18-12(2)17(13(3)20-18)16(21)11-8-14-6-9-15(24-4)10-7-14/h6-11,20H,5H2,1-4H3/b11-8+