propan-2-yl 2-[(10-aminocarbonyl-7-azanyl-6-cyano-8-azaspiro[4.5]deca-7,9-dien-9-yl)sulfanyl]ethanoate

Systemtic Name: propan-2-yl 2-[(10-aminocarbonyl-7-azanyl-6-cyano-8-azaspiro[4.5]deca-7,9-dien-9-yl)sulfanyl]ethanoate Openeye Name: isopropyl 2-[(7-amino-10-carbamoyl-6-cyano-8-azaspiro[4.5]deca-7,9-dien-9-yl)sulfanyl]acetate CAS Name: 2-[(7-amino-10-carbamoyl-6-cyano-8-azaspiro[4.5]deca-7,9-dien-9-yl)thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(7-amino-10-carbamoyl-6-cyano-8-azaspiro[4.5]deca-7,9-dien-9-yl)sulfanyl]acetate Traditional Name: 2-[(7-amino-10-carbamoyl-6-cyano-8-azaspiro[4.5]deca-7,9-dien-9-yl)thio]acetic acid isopropyl ester Formula: C16H22N4O3S MolecularWeight: 350.43588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=C(C2(CCCC2)C(C(=N1)N)C#N)C(=O)N

Isomeric SMILES

CC(C)OC(=O)CSC1=C(C2(CCCC2)C(C(=N1)N)C#N)C(=O)N

InChI

InChI=1S/C16H22N4O3S/c1-9(2)23-11(21)8-24-15-12(14(19)22)16(5-3-4-6-16)10(7-17)13(18)20-15/h9-10H,3-6,8H2,1-2H3,(H2,18,20)(H2,19,22)