[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-2-ethoxy-phenyl] naphthalene-1-carboxylate

Systemtic Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-2-ethoxy-phenyl] naphthalene-1-carboxylate Openeye Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-ethoxy-phenyl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenyl] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-ethoxy-phenyl] ester Formula: C29H20N2O3S MolecularWeight: 476.5457

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3S2)OC(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3S2)OC(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C29H20N2O3S/c1-2-33-26-17-19(16-21(18-30)28-31-24-12-5-6-13-27(24)35-28)14-15-25(26)34-29(32)23-11-7-9-20-8-3-4-10-22(20)23/h3-17H,2H2,1H3/b21-16+