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

Systemtic Name: ethyl 2,5-dimethyl-4-[2-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]oxyethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[2-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]oxyacetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[2-[(E)-3-[4-(methylthio)phenyl]-1-oxoprop-2-enoxy]-1-oxoethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[2-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]oxyacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[2-[(E)-3-[4-(methylthio)phenyl]acryloyl]oxyacetyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)C=CC2=CC=C(C=C2)SC)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)/C=C/C2=CC=C(C=C2)SC)C)C

InChI

InChI=1S/C21H23NO5S/c1-5-26-21(25)20-14(3)22-13(2)19(20)17(23)12-27-18(24)11-8-15-6-9-16(28-4)10-7-15/h6-11,22H,5,12H2,1-4H3/b11-8+