[2-(2-azanyl-3-cyano-4H-[1]benzothiolo[3,2-b]pyran-4-yl)-5-methyl-phenyl] benzoate

Systemtic Name: [2-(2-azanyl-3-cyano-4H-[1]benzothiolo[3,2-b]pyran-4-yl)-5-methyl-phenyl] benzoate Openeye Name: [2-(2-amino-3-cyano-4H-benzothiopheno[3,2-b]pyran-4-yl)-5-methyl-phenyl] benzoate CAS Name: benzoic acid [2-(2-amino-3-cyano-4H-[1]benzothiolo[3,2-b]pyran-4-yl)-5-methylphenyl] ester IUPAC Name: [2-(2-amino-3-cyano-4H-[1]benzothiolo[3,2-b]pyran-4-yl)-5-methylphenyl] benzoate Traditional Name: benzoic acid [2-(2-amino-3-cyano-4H-benzothiopheno[3,2-b]pyran-4-yl)-5-methyl-phenyl] ester Formula: C26H18N2O3S MolecularWeight: 438.49772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2C(=C(OC3=C2SC4=CC=CC=C43)N)C#N)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)C2C(=C(OC3=C2SC4=CC=CC=C43)N)C#N)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H18N2O3S/c1-15-11-12-17(20(13-15)30-26(29)16-7-3-2-4-8-16)22-19(14-27)25(28)31-23-18-9-5-6-10-21(18)32-24(22)23/h2-13,22H,28H2,1H3