ethyl 4-[[2-(ethanoylsulfanylmethyl)-3-(3-methoxyphenyl)propanoyl]amino]-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[[2-(ethanoylsulfanylmethyl)-3-(3-methoxyphenyl)propanoyl]amino]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[[2-(acetylsulfanylmethyl)-3-(3-methoxyphenyl)propanoyl]amino]-1H-pyrrole-2-carboxylate CAS Name: 4-[[2-[(acetylthio)methyl]-3-(3-methoxyphenyl)-1-oxopropyl]amino]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(acetylsulfanylmethyl)-3-(3-methoxyphenyl)propanoyl]amino]-1H-pyrrole-2-carboxylate Traditional Name: 4-[[2-[(acetylthio)methyl]-3-(3-methoxyphenyl)propanoyl]amino]-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CN1)NC(=O)C(CC2=CC(=CC=C2)OC)CSC(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CN1)NC(=O)C(CC2=CC(=CC=C2)OC)CSC(=O)C

InChI

InChI=1S/C20H24N2O5S/c1-4-27-20(25)18-10-16(11-21-18)22-19(24)15(12-28-13(2)23)8-14-6-5-7-17(9-14)26-3/h5-7,9-11,15,21H,4,8,12H2,1-3H3,(H,22,24)