tert-butyl (7S)-10-azanyl-8-azanylidene-7,11-dicyano-9-thia-3-azaspiro[5.5]undec-10-ene-3-carboxylate

Systemtic Name: tert-butyl (7S)-10-azanyl-8-azanylidene-7,11-dicyano-9-thia-3-azaspiro[5.5]undec-10-ene-3-carboxylate Openeye Name: tert-butyl (7S)-10-amino-7,11-dicyano-8-imino-9-thia-3-azaspiro[5.5]undec-10-ene-3-carboxylate CAS Name: (7S)-10-amino-7,11-dicyano-8-imino-9-thia-3-azaspiro[5.5]undec-10-ene-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (7S)-10-amino-7,11-dicyano-8-imino-9-thia-3-azaspiro[5.5]undec-10-ene-3-carboxylate Traditional Name: (7S)-10-amino-7,11-dicyano-8-imino-9-thia-3-azaspiro[5.5]undec-10-ene-3-carboxylic acid tert-butyl ester Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2(CC1)C(C(=N)SC(=C2C#N)N)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2(CC1)[C@H](C(=N)SC(=C2C#N)N)C#N

InChI

InChI=1S/C16H21N5O2S/c1-15(2,3)23-14(22)21-6-4-16(5-7-21)10(8-17)12(19)24-13(20)11(16)9-18/h10,19H,4-7,20H2,1-3H3/t10-/m0/s1