[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Openeye Name: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-2-pyrazinecarboxylic acid [2-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)pyrazinic acid [2-(tert-amylamino)-2-keto-ethyl] ester Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)COC(=O)C1=NC=CN=C1C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCC(C)(C)NC(=O)COC(=O)C1=NC=CN=C1C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H20N4O3S/c1-4-19(2,3)23-14(24)11-26-18(25)16-15(20-9-10-21-16)17-22-12-7-5-6-8-13(12)27-17/h5-10H,4,11H2,1-3H3,(H,23,24)