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

Systemtic Name: ethyl 2-[(11-aminocarbonyl-8-azanyl-7-cyano-9-azaspiro[5.5]undeca-8,10-dien-10-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(8-amino-11-carbamoyl-7-cyano-9-azaspiro[5.5]undeca-8,10-dien-10-yl)sulfanyl]acetate CAS Name: 2-[(8-amino-11-carbamoyl-7-cyano-9-azaspiro[5.5]undeca-8,10-dien-10-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(8-amino-11-carbamoyl-7-cyano-9-azaspiro[5.5]undeca-8,10-dien-10-yl)sulfanyl]acetate Traditional Name: 2-[(8-amino-11-carbamoyl-7-cyano-9-azaspiro[5.5]undeca-8,10-dien-10-yl)thio]acetic acid ethyl ester Formula: C16H22N4O3S MolecularWeight: 350.43588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C2(CCCCC2)C(C(=N1)N)C#N)C(=O)N

Isomeric SMILES

CCOC(=O)CSC1=C(C2(CCCCC2)C(C(=N1)N)C#N)C(=O)N

InChI

InChI=1S/C16H22N4O3S/c1-2-23-11(21)9-24-15-12(14(19)22)16(6-4-3-5-7-16)10(8-17)13(18)20-15/h10H,2-7,9H2,1H3,(H2,18,20)(H2,19,22)