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

Systemtic Name: ethyl 6-azanyl-4-[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2,4-dimethyl-phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-4-[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2,4-dimethyl-phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: 6-amino-4-[5-[(1,3-benzothiazol-2-ylthio)methyl]-2,4-dimethylphenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-4-[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2,4-dimethylphenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-[5-[(1,3-benzothiazol-2-ylthio)methyl]-2,4-dimethyl-phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C26H25N3O3S2 MolecularWeight: 491.625

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC(=C(C=C2C)C)CSC3=NC4=CC=CC=C4S3)C#N)N)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC(=C(C=C2C)C)CSC3=NC4=CC=CC=C4S3)C#N)N)C

InChI

InChI=1S/C26H25N3O3S2/c1-5-31-25(30)22-16(4)32-24(28)19(12-27)23(22)18-11-17(14(2)10-15(18)3)13-33-26-29-20-8-6-7-9-21(20)34-26/h6-11,23H,5,13,28H2,1-4H3