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

Systemtic Name: [2-oxidanylidene-2-(2-phenoxyethylamino)ethyl] 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Openeye Name: [2-oxo-2-(2-phenoxyethylamino)ethyl] 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-2-pyrazinecarboxylic acid [2-oxo-2-(2-phenoxyethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenoxyethylamino)ethyl] 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)pyrazinic acid [2-keto-2-(2-phenoxyethylamino)ethyl] ester Formula: C22H18N4O4S MolecularWeight: 434.46772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCNC(=O)COC(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)OCCNC(=O)COC(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H18N4O4S/c27-18(23-12-13-29-15-6-2-1-3-7-15)14-30-22(28)20-19(24-10-11-25-20)21-26-16-8-4-5-9-17(16)31-21/h1-11H,12-14H2,(H,23,27)