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

Systemtic Name: ethyl 4-[[2-(ethanoylsulfanylmethyl)-3-pyridin-3-yl-propanoyl]amino]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[[2-(acetylsulfanylmethyl)-3-(3-pyridyl)propanoyl]amino]-1H-pyrrole-2-carboxylate CAS Name: 4-[[2-[(acetylthio)methyl]-1-oxo-3-(3-pyridinyl)propyl]amino]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(acetylsulfanylmethyl)-3-pyridin-3-ylpropanoyl]amino]-1H-pyrrole-2-carboxylate Traditional Name: 4-[[2-[(acetylthio)methyl]-3-(3-pyridyl)propanoyl]amino]-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4S/c1-3-25-18(24)16-8-15(10-20-16)21-17(23)14(11-26-12(2)22)7-13-5-4-6-19-9-13/h4-6,8-10,14,20H,3,7,11H2,1-2H3,(H,21,23)