tert-butyl (7aS)-3-aminocarbonyl-2-azanylidene-4,5,7,7a-tetrahydrothieno[2,3-c]pyridine-6-carboxylate

Systemtic Name: tert-butyl (7aS)-3-aminocarbonyl-2-azanylidene-4,5,7,7a-tetrahydrothieno[2,3-c]pyridine-6-carboxylate Openeye Name: tert-butyl (7aS)-3-carbamoyl-2-imino-4,5,7,7a-tetrahydrothieno[2,3-c]pyridine-6-carboxylate CAS Name: (7aS)-3-carbamoyl-2-imino-4,5,7,7a-tetrahydrothieno[2,3-c]pyridine-6-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (7aS)-3-carbamoyl-2-imino-4,5,7,7a-tetrahydrothieno[2,3-c]pyridine-6-carboxylate Traditional Name: (7aS)-3-carbamoyl-2-imino-4,5,7,7a-tetrahydrothieno[2,3-c]pyridine-6-carboxylic acid tert-butyl ester Formula: C13H19N3O3S MolecularWeight: 297.37326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C(=N)SC2C1)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C(=N)S[C@@H]2C1)C(=O)N

InChI

InChI=1S/C13H19N3O3S/c1-13(2,3)19-12(18)16-5-4-7-8(6-16)20-11(15)9(7)10(14)17/h8,15H,4-6H2,1-3H3,(H2,14,17)/t8-/m1/s1