tert-butyl N-methyl-N-[(9-nitro-5-oxidanylidene-thiochromeno[2,3-b]pyridin-6-yl)amino]carbamate

Systemtic Name: tert-butyl N-methyl-N-[(9-nitro-5-oxidanylidene-thiochromeno[2,3-b]pyridin-6-yl)amino]carbamate Openeye Name: tert-butyl N-methyl-N-[(9-nitro-5-oxo-thiochromeno[2,3-b]pyridin-6-yl)amino]carbamate CAS Name: N-methyl-N-[(9-nitro-5-oxo-6-thiochromeno[2,3-b]pyridinyl)amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-methyl-N-[(9-nitro-5-oxothiochromeno[2,3-b]pyridin-6-yl)amino]carbamate Traditional Name: N-[(5-keto-9-nitro-thiochromeno[2,3-b]pyridin-6-yl)amino]-N-methyl-carbamic acid tert-butyl ester Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C)NC1=C2C(=C(C=C1)[N+](=O)[O-])SC3=C(C2=O)C=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)N(C)NC1=C2C(=C(C=C1)[N+](=O)[O-])SC3=C(C2=O)C=CC=N3

InChI

InChI=1S/C18H18N4O5S/c1-18(2,3)27-17(24)21(4)20-11-7-8-12(22(25)26)15-13(11)14(23)10-6-5-9-19-16(10)28-15/h5-9,20H,1-4H3