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

Systemtic Name: (phenylmethyl) 2-[(11-aminocarbonyl-8-azanyl-7-cyano-9-azaspiro[5.5]undeca-7,10-dien-10-yl)sulfanyl]ethanoate Openeye Name: benzyl 2-[(8-amino-11-carbamoyl-7-cyano-9-azaspiro[5.5]undeca-7,10-dien-10-yl)sulfanyl]acetate CAS Name: 2-[(8-amino-11-carbamoyl-7-cyano-9-azaspiro[5.5]undeca-7,10-dien-10-yl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(8-amino-11-carbamoyl-7-cyano-9-azaspiro[5.5]undeca-7,10-dien-10-yl)sulfanyl]acetate Traditional Name: 2-[(8-amino-11-carbamoyl-7-cyano-9-azaspiro[5.5]undeca-7,10-dien-10-yl)thio]acetic acid benzyl ester Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)C(=C(NC(=C2C(=O)N)SCC(=O)OCC3=CC=CC=C3)N)C#N

Isomeric SMILES

C1CCC2(CC1)C(=C(NC(=C2C(=O)N)SCC(=O)OCC3=CC=CC=C3)N)C#N

InChI

InChI=1S/C21H24N4O3S/c22-11-15-18(23)25-20(17(19(24)27)21(15)9-5-2-6-10-21)29-13-16(26)28-12-14-7-3-1-4-8-14/h1,3-4,7-8,25H,2,5-6,9-10,12-13,23H2,(H2,24,27)