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

Systemtic Name: [2-(2-azanyl-3-cyano-4H-[1]benzothiolo[3,2-b]pyran-4-yl)-4-methoxy-phenyl] benzoate Openeye Name: [2-(2-amino-3-cyano-4H-benzothiopheno[3,2-b]pyran-4-yl)-4-methoxy-phenyl] benzoate CAS Name: benzoic acid [2-(2-amino-3-cyano-4H-[1]benzothiolo[3,2-b]pyran-4-yl)-4-methoxyphenyl] ester IUPAC Name: [2-(2-amino-3-cyano-4H-[1]benzothiolo[3,2-b]pyran-4-yl)-4-methoxyphenyl] benzoate Traditional Name: benzoic acid [2-(2-amino-3-cyano-4H-benzothiopheno[3,2-b]pyran-4-yl)-4-methoxy-phenyl] ester Formula: C26H18N2O4S MolecularWeight: 454.49712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2)C3C(=C(OC4=C3SC5=CC=CC=C54)N)C#N

Isomeric SMILES

COC1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2)C3C(=C(OC4=C3SC5=CC=CC=C54)N)C#N

InChI

InChI=1S/C26H18N2O4S/c1-30-16-11-12-20(31-26(29)15-7-3-2-4-8-15)18(13-16)22-19(14-27)25(28)32-23-17-9-5-6-10-21(17)33-24(22)23/h2-13,22H,28H2,1H3