(7S)-10-azanyl-11-cyano-8-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-9-azaspiro[5.5]undeca-8,10-diene-7-carboxamide

Systemtic Name: (7S)-10-azanyl-11-cyano-8-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-9-azaspiro[5.5]undeca-8,10-diene-7-carboxamide Openeye Name: (7S)-10-amino-8-(2-anilino-2-oxo-ethyl)sulfanyl-11-cyano-9-azaspiro[5.5]undeca-8,10-diene-7-carboxamide CAS Name: (7S)-10-amino-8-[(2-anilino-2-oxoethyl)thio]-11-cyano-9-azaspiro[5.5]undeca-8,10-diene-7-carboxamide IUPAC Name: (7S)-10-amino-8-(2-anilino-2-oxoethyl)sulfanyl-11-cyano-9-azaspiro[5.5]undeca-8,10-diene-7-carboxamide Traditional Name: (7S)-10-amino-8-[(2-anilino-2-keto-ethyl)thio]-11-cyano-9-azaspiro[5.5]undeca-8,10-diene-7-carboxamide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)C(C(=NC(=C2C#N)N)SCC(=O)NC3=CC=CC=C3)C(=O)N

Isomeric SMILES

C1CCC2(CC1)[C@H](C(=NC(=C2C#N)N)SCC(=O)NC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C20H23N5O2S/c21-11-14-17(22)25-19(16(18(23)27)20(14)9-5-2-6-10-20)28-12-15(26)24-13-7-3-1-4-8-13/h1,3-4,7-8,16H,2,5-6,9-10,12,22H2,(H2,23,27)(H,24,26)/t16-/m0/s1