tert-butyl 2-[(2E)-2-(6-azanyl-3-bromanyl-5-oxidanylidene-pyridin-2-ylidene)hydrazinyl]-5-(3-hydroxyphenyl)carbonyl-4-methyl-thiophene-3-carboxylate

Systemtic Name: tert-butyl 2-[(2E)-2-(6-azanyl-3-bromanyl-5-oxidanylidene-pyridin-2-ylidene)hydrazinyl]-5-(3-hydroxyphenyl)carbonyl-4-methyl-thiophene-3-carboxylate Openeye Name: tert-butyl 2-[(2E)-2-(6-amino-3-bromo-5-oxo-2-pyridylidene)hydrazino]-5-(3-hydroxybenzoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[(2E)-2-(6-amino-3-bromo-5-oxo-2-pyridinylidene)hydrazinyl]-5-[(3-hydroxyphenyl)-oxomethyl]-4-methyl-3-thiophenecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2E)-2-(6-amino-3-bromo-5-oxopyridin-2-ylidene)hydrazinyl]-5-(3-hydroxybenzoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[(N'E)-N'-(6-amino-3-bromo-5-keto-2-pyridylidene)hydrazino]-5-(3-hydroxybenzoyl)-4-methyl-thiophene-3-carboxylic acid tert-butyl ester Formula: C22H21BrN4O5S MolecularWeight: 533.39494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC(C)(C)C)NN=C2C(=CC(=O)C(=N2)N)Br)C(=O)C3=CC(=CC=C3)O

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC(C)(C)C)N/N=C/2\C(=CC(=O)C(=N2)N)Br)C(=O)C3=CC(=CC=C3)O

InChI

InChI=1S/C22H21BrN4O5S/c1-10-15(21(31)32-22(2,3)4)20(27-26-19-13(23)9-14(29)18(24)25-19)33-17(10)16(30)11-6-5-7-12(28)8-11/h5-9,27-28H,1-4H3,(H2,24,25,26)