tert-butyl 2-[[(E)-(5-bromanyl-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Systemtic Name: tert-butyl 2-[[(E)-(5-bromanyl-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: tert-butyl 2-[[(E)-(5-bromo-3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-[[(E)-(5-bromo-3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[(E)-(5-bromo-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 2-[[(E)-(5-bromo-6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid tert-butyl ester Formula: C20H22BrN3O5S MolecularWeight: 496.37478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(SC2=C1CCN(C2)C)NC=C3C=C(C=C(C3=O)Br)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(SC2=C1CCN(C2)C)N/C=C/3\C=C(C=C(C3=O)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H22BrN3O5S/c1-20(2,3)29-19(26)16-13-5-6-23(4)10-15(13)30-18(16)22-9-11-7-12(24(27)28)8-14(21)17(11)25/h7-9,22H,5-6,10H2,1-4H3/b11-9+