methyl 2-[(7-aminocarbonyl-10-azanyl-11-cyano-9-azaspiro[5.5]undeca-8,10-dien-8-yl)sulfanyl]ethanoate

Systemtic Name: methyl 2-[(7-aminocarbonyl-10-azanyl-11-cyano-9-azaspiro[5.5]undeca-8,10-dien-8-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(10-amino-7-carbamoyl-11-cyano-9-azaspiro[5.5]undeca-8,10-dien-8-yl)sulfanyl]acetate CAS Name: 2-[(10-amino-7-carbamoyl-11-cyano-9-azaspiro[5.5]undeca-8,10-dien-8-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(10-amino-7-carbamoyl-11-cyano-9-azaspiro[5.5]undeca-8,10-dien-8-yl)sulfanyl]acetate Traditional Name: 2-[(10-amino-7-carbamoyl-11-cyano-9-azaspiro[5.5]undeca-8,10-dien-8-yl)thio]acetic acid methyl ester Formula: C15H20N4O3S MolecularWeight: 336.4093

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC(=C(C2(C1C(=O)N)CCCCC2)C#N)N

Isomeric SMILES

COC(=O)CSC1=NC(=C(C2(C1C(=O)N)CCCCC2)C#N)N

InChI

InChI=1S/C15H20N4O3S/c1-22-10(20)8-23-14-11(13(18)21)15(5-3-2-4-6-15)9(7-16)12(17)19-14/h11H,2-6,8,17H2,1H3,(H2,18,21)