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

Systemtic Name: [2-(2-azanyl-3-cyano-4H-[1]benzothiolo[3,2-b]pyran-4-yl)-4-methoxy-phenyl] 2-methylbenzoate Openeye Name: [2-(2-amino-3-cyano-4H-benzothiopheno[3,2-b]pyran-4-yl)-4-methoxy-phenyl] 2-methylbenzoate CAS Name: 2-methylbenzoic 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] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [2-(2-amino-3-cyano-4H-benzothiopheno[3,2-b]pyran-4-yl)-4-methoxy-phenyl] ester Formula: C27H20N2O4S MolecularWeight: 468.5237

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OC2=C(C=C(C=C2)OC)C3C(=C(OC4=C3SC5=CC=CC=C54)N)C#N

Isomeric SMILES

CC1=CC=CC=C1C(=O)OC2=C(C=C(C=C2)OC)C3C(=C(OC4=C3SC5=CC=CC=C54)N)C#N

InChI

InChI=1S/C27H20N2O4S/c1-15-7-3-4-8-17(15)27(30)32-21-12-11-16(31-2)13-19(21)23-20(14-28)26(29)33-24-18-9-5-6-10-22(18)34-25(23)24/h3-13,23H,29H2,1-2H3