(E)-2-(1,3-benzothiazol-2-yl)-3-(5-chloranyl-8-methoxy-quinolin-2-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(5-chloranyl-8-methoxy-quinolin-2-yl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(5-chloro-8-methoxy-2-quinolyl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(5-chloro-8-methoxy-2-quinolinyl)-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(5-chloro-8-methoxyquinolin-2-yl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(5-chloro-8-methoxy-2-quinolyl)acrylonitrile Formula: C20H12ClN3OS MolecularWeight: 377.84678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)Cl)C=CC(=N2)C=C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=C2C(=C(C=C1)Cl)C=CC(=N2)/C=C(\C#N)/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H12ClN3OS/c1-25-17-9-8-15(21)14-7-6-13(23-19(14)17)10-12(11-22)20-24-16-4-2-3-5-18(16)26-20/h2-10H,1H3/b12-10+