[2-(2-azanyl-3-cyano-4H-[1]benzothiolo[3,2-b]pyran-4-yl)-4-methoxy-6-nitro-phenyl] benzoate

Systemtic Name: [2-(2-azanyl-3-cyano-4H-[1]benzothiolo[3,2-b]pyran-4-yl)-4-methoxy-6-nitro-phenyl] benzoate Openeye Name: [2-(2-amino-3-cyano-4H-benzothiopheno[3,2-b]pyran-4-yl)-4-methoxy-6-nitro-phenyl] benzoate CAS Name: benzoic acid [2-(2-amino-3-cyano-4H-[1]benzothiolo[3,2-b]pyran-4-yl)-4-methoxy-6-nitrophenyl] ester IUPAC Name: [2-(2-amino-3-cyano-4H-[1]benzothiolo[3,2-b]pyran-4-yl)-4-methoxy-6-nitrophenyl] benzoate Traditional Name: benzoic acid [2-(2-amino-3-cyano-4H-benzothiopheno[3,2-b]pyran-4-yl)-4-methoxy-6-nitro-phenyl] ester Formula: C26H17N3O6S MolecularWeight: 499.49468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)C2C(=C(OC3=C2SC4=CC=CC=C43)N)C#N)OC(=O)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C(=C1)C2C(=C(OC3=C2SC4=CC=CC=C43)N)C#N)OC(=O)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H17N3O6S/c1-33-15-11-17(22(19(12-15)29(31)32)35-26(30)14-7-3-2-4-8-14)21-18(13-27)25(28)34-23-16-9-5-6-10-20(16)36-24(21)23/h2-12,21H,28H2,1H3