methyl 5-[5-ethyl-1,1-bis(oxidanyl)-4-oxidanylidene-1,2,5-thiadiazepan-2-yl]-8-oxidanyl-1,6-naphthyridine-7-carboxylate

Systemtic Name: methyl 5-[5-ethyl-1,1-bis(oxidanyl)-4-oxidanylidene-1,2,5-thiadiazepan-2-yl]-8-oxidanyl-1,6-naphthyridine-7-carboxylate Openeye Name: methyl 5-(5-ethyl-1,1-dihydroxy-4-oxo-1,2,5-thiadiazepan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxylate CAS Name: 5-(5-ethyl-1,1-dihydroxy-4-oxo-1,2,5-thiadiazepan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxylic acid methyl ester IUPAC Name: methyl 5-(5-ethyl-1,1-dihydroxy-4-oxo-1,2,5-thiadiazepan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxylate Traditional Name: 5-(5-ethyl-1,1-dihydroxy-4-keto-1,2,5-thiadiazepan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxylic acid methyl ester Formula: C16H20N4O6S MolecularWeight: 396.4182

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCS(N(CC1=O)C2=NC(=C(C3=C2C=CC=N3)O)C(=O)OC)(O)O

Isomeric SMILES

CCN1CCS(N(CC1=O)C2=NC(=C(C3=C2C=CC=N3)O)C(=O)OC)(O)O

InChI

InChI=1S/C16H20N4O6S/c1-3-19-7-8-27(24,25)20(9-11(19)21)15-10-5-4-6-17-12(10)14(22)13(18-15)16(23)26-2/h4-6,22,24-25H,3,7-9H2,1-2H3