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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2)C3C(=C(OC4=C3SC5=CC=CC=C54)N)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2)C3C(=C(OC4=C3SC5=CC=CC=C54)N)C#N

InChI

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