[2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxidanylidene-ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-(1-methylsulfonylindolin-5-yl)-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-keto-2-(1-mesylindolin-5-yl)ethyl] ester Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)COC(=O)C3=NC=CN=C3

Isomeric SMILES

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)COC(=O)C3=NC=CN=C3

InChI

InChI=1S/C16H15N3O5S/c1-25(22,23)19-7-4-11-8-12(2-3-14(11)19)15(20)10-24-16(21)13-9-17-5-6-18-13/h2-3,5-6,8-9H,4,7,10H2,1H3