2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-2-pyrazinecarboxylic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)pyrazinic acid 2-phthalimidoethyl ester Formula: C22H14N4O4S MolecularWeight: 430.43596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=O)C3=NC=CN=C3C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=O)C3=NC=CN=C3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H14N4O4S/c27-20-13-5-1-2-6-14(13)21(28)26(20)11-12-30-22(29)18-17(23-9-10-24-18)19-25-15-7-3-4-8-16(15)31-19/h1-10H,11-12H2