(4-ethoxycarbonylphenyl) 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate

Systemtic Name: (4-ethoxycarbonylphenyl) 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Openeye Name: (4-ethoxycarbonylphenyl) 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-2-pyrazinecarboxylic acid (4-ethoxycarbonylphenyl) ester IUPAC Name: (4-ethoxycarbonylphenyl) 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)pyrazinic acid (4-carbethoxyphenyl) ester Formula: C21H15N3O4S MolecularWeight: 405.4265

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H15N3O4S/c1-2-27-20(25)13-7-9-14(10-8-13)28-21(26)18-17(22-11-12-23-18)19-24-15-5-3-4-6-16(15)29-19/h3-12H,2H2,1H3