ethyl 6-azanyl-3-tert-butyl-4-(4-methylsulfanylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carboxylate

Systemtic Name: ethyl 6-azanyl-3-tert-butyl-4-(4-methylsulfanylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carboxylate Openeye Name: ethyl 6-amino-3-tert-butyl-4-(4-methylsulfanylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carboxylate CAS Name: 6-amino-3-tert-butyl-4-[4-(methylthio)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-3-tert-butyl-4-(4-methylsulfanylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carboxylate Traditional Name: 6-amino-3-tert-butyl-4-[4-(methylthio)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carboxylic acid ethyl ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NNC(=C2C1C3=CC=C(C=C3)SC)C(C)(C)C)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=NNC(=C2C1C3=CC=C(C=C3)SC)C(C)(C)C)N

InChI

InChI=1S/C20H25N3O3S/c1-6-25-19(24)15-13(11-7-9-12(27-5)10-8-11)14-16(20(2,3)4)22-23-18(14)26-17(15)21/h7-10,13H,6,21H2,1-5H3,(H,22,23)