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

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl] 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-2-pyrazinecarboxylic acid [2-oxo-2-[[oxo-(2-thiophen-2-ylethylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)pyrazinic acid [2-keto-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl] ester Formula: C21H17N5O4S2 MolecularWeight: 467.52078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=NC=CN=C3C(=O)OCC(=O)NC(=O)NCCC4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=NC=CN=C3C(=O)OCC(=O)NC(=O)NCCC4=CC=CS4

InChI

InChI=1S/C21H17N5O4S2/c27-16(26-21(29)24-8-7-13-4-3-11-31-13)12-30-20(28)18-17(22-9-10-23-18)19-25-14-5-1-2-6-15(14)32-19/h1-6,9-11H,7-8,12H2,(H2,24,26,27,29)