[4-[(E)-2-cyano-3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] benzoate

Systemtic Name: [4-[(E)-2-cyano-3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] benzoate Openeye Name: [4-[(E)-2-cyano-3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxo-prop-1-enyl]-2-methoxy-phenyl] benzoate CAS Name: benzoic acid [4-[(E)-2-cyano-3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] benzoate Traditional Name: benzoic acid [4-[(E)-2-cyano-3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C27H21N3O5S MolecularWeight: 499.53774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=CC3=CC(=C(C=C3)OC(=O)C4=CC=CC=C4)OC)C#N

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)/C(=C/C3=CC(=C(C=C3)OC(=O)C4=CC=CC=C4)OC)/C#N

InChI

InChI=1S/C27H21N3O5S/c1-3-34-20-10-11-21-24(15-20)36-27(29-21)30-25(31)19(16-28)13-17-9-12-22(23(14-17)33-2)35-26(32)18-7-5-4-6-8-18/h4-15H,3H2,1-2H3,(H,29,30,31)/b19-13+