(7S)-3-methyl-8-oxidanylidene-10-sulfanyl-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile

Systemtic Name: (7S)-3-methyl-8-oxidanylidene-10-sulfanyl-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile Openeye Name: (7S)-3-methyl-8-oxo-10-sulfanyl-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile CAS Name: (7S)-10-mercapto-3-methyl-8-oxo-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile IUPAC Name: (7S)-3-methyl-8-oxo-10-sulfanyl-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile Traditional Name: (7S)-8-keto-10-mercapto-3-methyl-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile Formula: C13H15N3OS MolecularWeight: 261.3427

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2(CC1)C(C(=O)NC(=C2C#N)S)C#N

Isomeric SMILES

CC1CCC2(CC1)[C@H](C(=O)NC(=C2C#N)S)C#N

InChI

InChI=1S/C13H15N3OS/c1-8-2-4-13(5-3-8)9(6-14)11(17)16-12(18)10(13)7-15/h8-9,18H,2-5H2,1H3,(H,16,17)/t8?,9-,13?/m0/s1