(4-cyano-2-methoxy-phenyl) 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: (4-cyano-2-methoxy-phenyl) 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: (4-cyano-2-methoxy-phenyl) 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid (4-cyano-2-methoxyphenyl) ester IUPAC Name: (4-cyano-2-methoxyphenyl) 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid (4-cyano-2-methoxy-phenyl) ester Formula: C18H14N2O3S MolecularWeight: 338.38036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H14N2O3S/c1-22-15-10-12(11-19)6-7-14(15)23-18(21)9-8-17-20-13-4-2-3-5-16(13)24-17/h2-7,10H,8-9H2,1H3