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

Systemtic Name: [2-(2-azanyl-3-cyano-4H-[1]benzothiolo[3,2-b]pyran-4-yl)-5-methyl-phenyl] 2-methylbenzoate Openeye Name: [2-(2-amino-3-cyano-4H-benzothiopheno[3,2-b]pyran-4-yl)-5-methyl-phenyl] 2-methylbenzoate CAS Name: 2-methylbenzoic 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] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [2-(2-amino-3-cyano-4H-benzothiopheno[3,2-b]pyran-4-yl)-5-methyl-phenyl] ester Formula: C27H20N2O3S MolecularWeight: 452.5243

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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=C5C

Isomeric SMILES

CC1=CC(=C(C=C1)C2C(=C(OC3=C2SC4=CC=CC=C43)N)C#N)OC(=O)C5=CC=CC=C5C

InChI

InChI=1S/C27H20N2O3S/c1-15-11-12-18(21(13-15)31-27(30)17-8-4-3-7-16(17)2)23-20(14-28)26(29)32-24-19-9-5-6-10-22(19)33-25(23)24/h3-13,23H,29H2,1-2H3