2-(2-cyano-4-naphtho[3,2-b][1]benzothiol-11-yl-phenoxy)ethanoic acid

Systemtic Name: 2-(2-cyano-4-naphtho[3,2-b][1]benzothiol-11-yl-phenoxy)ethanoic acid Openeye Name: 2-(2-cyano-4-naphtho[3,2-b]benzothiophen-11-yl-phenoxy)acetic acid CAS Name: 2-[2-cyano-4-(11-naphtho[3,2-b][1]benzothiolyl)phenoxy]acetic acid IUPAC Name: 2-(2-cyano-4-naphtho[3,2-b][1]benzothiol-11-ylphenoxy)acetic acid Traditional Name: 2-(2-cyano-4-naphtho[3,2-b]benzothiophen-11-yl-phenoxy)acetic acid Formula: C25H15NO3S MolecularWeight: 409.4565

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3C(=C2C4=CC(=C(C=C4)OCC(=O)O)C#N)C5=CC=CC=C5S3

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C(=C2C4=CC(=C(C=C4)OCC(=O)O)C#N)C5=CC=CC=C5S3

InChI

InChI=1S/C25H15NO3S/c26-13-17-11-16(9-10-20(17)29-14-23(27)28)24-18-6-2-1-5-15(18)12-22-25(24)19-7-3-4-8-21(19)30-22/h1-12H,14H2,(H,27,28)