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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C3C(=C(OC4=C3SC5=CC=CC=C54)N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C3C(=C(OC4=C3SC5=CC=CC=C54)N)C#N

InChI

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