2-(1,3-benzothiazol-2-yl)-3-[3-chloranyl-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-[3-chloranyl-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-[3-chloro-5-ethoxy-4-(1-naphthylmethoxy)phenyl]prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-[3-chloro-5-ethoxy-4-(1-naphthalenylmethoxy)phenyl]-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-[3-chloro-5-ethoxy-4-(1-naphthylmethoxy)phenyl]acrylonitrile Formula: C29H21ClN2O2S MolecularWeight: 497.00724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3S2)Cl)OCC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3S2)Cl)OCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C29H21ClN2O2S/c1-2-33-26-16-19(14-22(17-31)29-32-25-12-5-6-13-27(25)35-29)15-24(30)28(26)34-18-21-10-7-9-20-8-3-4-11-23(20)21/h3-16H,2,18H2,1H3