methyl 6-azanyl-4-[5-(1,3-benzoxazol-2-ylsulfanylmethyl)-2,4-dimethyl-phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate

Systemtic Name: methyl 6-azanyl-4-[5-(1,3-benzoxazol-2-ylsulfanylmethyl)-2,4-dimethyl-phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Openeye Name: methyl 6-amino-4-[5-(1,3-benzoxazol-2-ylsulfanylmethyl)-2,4-dimethyl-phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: 6-amino-4-[5-[(1,3-benzoxazol-2-ylthio)methyl]-2,4-dimethylphenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid methyl ester IUPAC Name: methyl 6-amino-4-[5-(1,3-benzoxazol-2-ylsulfanylmethyl)-2,4-dimethylphenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-[5-[(1,3-benzoxazol-2-ylthio)methyl]-2,4-dimethyl-phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid methyl ester Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2C(=C(OC(=C2C(=O)OC)C)N)C#N)CSC3=NC4=CC=CC=C4O3)C

Isomeric SMILES

CC1=CC(=C(C=C1C2C(=C(OC(=C2C(=O)OC)C)N)C#N)CSC3=NC4=CC=CC=C4O3)C

InChI

InChI=1S/C25H23N3O4S/c1-13-9-14(2)17(22-18(11-26)23(27)31-15(3)21(22)24(29)30-4)10-16(13)12-33-25-28-19-7-5-6-8-20(19)32-25/h5-10,22H,12,27H2,1-4H3