(E)-2-cyano-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-[4-(4-ethoxyphenyl)thiazol-2-yl]-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-[4-(4-ethoxyphenyl)-2-thiazolyl]-3-(4-hexoxy-3-methoxyphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)-N-(4-p-phenetylthiazol-2-yl)acrylamide Formula: C28H31N3O4S MolecularWeight: 505.62844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)OCC)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)OCC)OC

InChI

InChI=1S/C28H31N3O4S/c1-4-6-7-8-15-35-25-14-9-20(17-26(25)33-3)16-22(18-29)27(32)31-28-30-24(19-36-28)21-10-12-23(13-11-21)34-5-2/h9-14,16-17,19H,4-8,15H2,1-3H3,(H,30,31,32)/b22-16+