(E)-2-(1,3-benzothiazol-2-yl)-3-(2-chloranyl-6-methoxy-quinolin-3-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(2-chloranyl-6-methoxy-quinolin-3-yl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(2-chloro-6-methoxy-3-quinolyl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(2-chloro-6-methoxy-3-quinolinyl)-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(2-chloro-6-methoxyquinolin-3-yl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(2-chloro-6-methoxy-3-quinolyl)acrylonitrile Formula: C20H12ClN3OS MolecularWeight: 377.84678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC(=C(N=C2C=C1)Cl)C=C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC2=CC(=C(N=C2C=C1)Cl)/C=C(\C#N)/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H12ClN3OS/c1-25-15-6-7-16-12(10-15)8-13(19(21)23-16)9-14(11-22)20-24-17-4-2-3-5-18(17)26-20/h2-10H,1H3/b14-9+