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

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Openeye Name: [2-(isobutylcarbamoylamino)-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-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)pyrazinic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H19N5O4S MolecularWeight: 413.45026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O4S/c1-11(2)9-22-19(27)24-14(25)10-28-18(26)16-15(20-7-8-21-16)17-23-12-5-3-4-6-13(12)29-17/h3-8,11H,9-10H2,1-2H3,(H2,22,24,25,27)