(2-chloranyl-7-methyl-quinolin-3-yl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate

Systemtic Name: (2-chloranyl-7-methyl-quinolin-3-yl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Openeye Name: (2-chloro-7-methyl-3-quinolyl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-2-pyrazinecarboxylic acid (2-chloro-7-methyl-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7-methylquinolin-3-yl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)pyrazinic acid (2-chloro-7-methyl-3-quinolyl)methyl ester Formula: C23H15ClN4O2S MolecularWeight: 446.9088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=NC=CN=C3C4=NC5=CC=CC=C5S4)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=NC=CN=C3C4=NC5=CC=CC=C5S4)Cl

InChI

InChI=1S/C23H15ClN4O2S/c1-13-6-7-14-11-15(21(24)27-17(14)10-13)12-30-23(29)20-19(25-8-9-26-20)22-28-16-4-2-3-5-18(16)31-22/h2-11H,12H2,1H3