[2-[(4-methyl-3-sulfamoyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate

Systemtic Name: [2-[(4-methyl-3-sulfamoyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Openeye Name: [2-(4-methyl-3-sulfamoyl-anilino)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-2-pyrazinecarboxylic acid [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)pyrazinic acid [2-keto-2-(4-methyl-3-sulfamoyl-anilino)ethyl] ester Formula: C21H17N5O5S2 MolecularWeight: 483.52018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3)S(=O)(=O)N

InChI

InChI=1S/C21H17N5O5S2/c1-12-6-7-13(10-16(12)33(22,29)30)25-17(27)11-31-21(28)19-18(23-8-9-24-19)20-26-14-4-2-3-5-15(14)32-20/h2-10H,11H2,1H3,(H,25,27)(H2,22,29,30)