methyl 1-oxidanylidene-2-(2-pyridin-4-ylsulfanylethanoylamino)isoquinoline-4-carboxylate

Systemtic Name: methyl 1-oxidanylidene-2-(2-pyridin-4-ylsulfanylethanoylamino)isoquinoline-4-carboxylate Openeye Name: methyl 1-oxo-2-[[2-(4-pyridylsulfanyl)acetyl]amino]isoquinoline-4-carboxylate CAS Name: 1-oxo-2-[[1-oxo-2-(pyridin-4-ylthio)ethyl]amino]-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-oxo-2-[(2-pyridin-4-ylsulfanylacetyl)amino]isoquinoline-4-carboxylate Traditional Name: 1-keto-2-[[2-(4-pyridylthio)acetyl]amino]isoquinoline-4-carboxylic acid methyl ester Formula: C18H15N3O4S MolecularWeight: 369.3944

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)CSC3=CC=NC=C3

Isomeric SMILES

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)CSC3=CC=NC=C3

InChI

InChI=1S/C18H15N3O4S/c1-25-18(24)15-10-21(17(23)14-5-3-2-4-13(14)15)20-16(22)11-26-12-6-8-19-9-7-12/h2-10H,11H2,1H3,(H,20,22)