[4-(phenylcarbamoyl)phenyl]methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate

Systemtic Name: [4-(phenylcarbamoyl)phenyl]methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Openeye Name: [4-(phenylcarbamoyl)phenyl]methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-2-pyrazinecarboxylic acid [4-[anilino(oxo)methyl]phenyl]methyl ester IUPAC Name: [4-(phenylcarbamoyl)phenyl]methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)pyrazinic acid [4-(phenylcarbamoyl)benzyl] ester Formula: C26H18N4O3S MolecularWeight: 466.51112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)COC(=O)C3=NC=CN=C3C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)COC(=O)C3=NC=CN=C3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H18N4O3S/c31-24(29-19-6-2-1-3-7-19)18-12-10-17(11-13-18)16-33-26(32)23-22(27-14-15-28-23)25-30-20-8-4-5-9-21(20)34-25/h1-15H,16H2,(H,29,31)