methyl 4-oxidanylidene-3-(2-pyridin-4-ylsulfanylethanoylamino)azetidine-2-carboxylate

Systemtic Name: methyl 4-oxidanylidene-3-(2-pyridin-4-ylsulfanylethanoylamino)azetidine-2-carboxylate Openeye Name: methyl 4-oxo-3-[[2-(4-pyridylsulfanyl)acetyl]amino]azetidine-2-carboxylate CAS Name: 4-oxo-3-[[1-oxo-2-(pyridin-4-ylthio)ethyl]amino]-2-azetidinecarboxylic acid methyl ester IUPAC Name: methyl 4-oxo-3-[(2-pyridin-4-ylsulfanylacetyl)amino]azetidine-2-carboxylate Traditional Name: 4-keto-3-[[2-(4-pyridylthio)acetyl]amino]azetidine-2-carboxylic acid methyl ester Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(=O)N1)NC(=O)CSC2=CC=NC=C2

Isomeric SMILES

COC(=O)C1C(C(=O)N1)NC(=O)CSC2=CC=NC=C2

InChI

InChI=1S/C12H13N3O4S/c1-19-12(18)10-9(11(17)15-10)14-8(16)6-20-7-2-4-13-5-3-7/h2-5,9-10H,6H2,1H3,(H,14,16)(H,15,17)