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

Systemtic Name: ethyl 4-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]-1H-pyrrole-2-carboxylate CAS Name: 4-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]-1H-pyrrole-2-carboxylate Traditional Name: 4-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O4S/c1-3-25-19(24)17-10-16(11-20-17)21-18(23)15(12-26-13(2)22)9-14-7-5-4-6-8-14/h4-8,10-11,15,20H,3,9,12H2,1-2H3,(H,21,23)