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

Systemtic Name: methyl 4-(2-azanyl-3-cyano-4H-[1]benzothiolo[3,2-b]pyran-4-yl)benzoate Openeye Name: methyl 4-(2-amino-3-cyano-4H-benzothiopheno[3,2-b]pyran-4-yl)benzoate CAS Name: 4-(2-amino-3-cyano-4H-[1]benzothiolo[3,2-b]pyran-4-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(2-amino-3-cyano-4H-[1]benzothiolo[3,2-b]pyran-4-yl)benzoate Traditional Name: 4-(2-amino-3-cyano-4H-benzothiopheno[3,2-b]pyran-4-yl)benzoic acid methyl ester Formula: C20H14N2O3S MolecularWeight: 362.40176

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C(=C(OC3=C2SC4=CC=CC=C43)N)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2C(=C(OC3=C2SC4=CC=CC=C43)N)C#N

InChI

InChI=1S/C20H14N2O3S/c1-24-20(23)12-8-6-11(7-9-12)16-14(10-21)19(22)25-17-13-4-2-3-5-15(13)26-18(16)17/h2-9,16H,22H2,1H3