methyl 2-azanyl-6-methyl-7-[2-nitroso-1-(oxidanylamino)-2-phenyl-ethenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Systemtic Name: methyl 2-azanyl-6-methyl-7-[2-nitroso-1-(oxidanylamino)-2-phenyl-ethenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 2-amino-7-[1-(hydroxyamino)-2-nitroso-2-phenyl-vinyl]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-amino-7-[1-(hydroxyamino)-2-nitroso-2-phenylethenyl]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-amino-7-[1-(hydroxyamino)-2-nitroso-2-phenylethenyl]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 2-amino-7-[1-(hydroxyamino)-2-nitroso-2-phenyl-vinyl]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1C(=C(C3=CC=CC=C3)N=O)NO)SC(=C2C(=O)OC)N

Isomeric SMILES

CN1CCC2=C(C1C(=C(C3=CC=CC=C3)N=O)NO)SC(=C2C(=O)OC)N

InChI

InChI=1S/C18H20N4O4S/c1-22-9-8-11-12(18(23)26-2)17(19)27-16(11)15(22)14(21-25)13(20-24)10-6-4-3-5-7-10/h3-7,15,21,25H,8-9,19H2,1-2H3