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

Systemtic Name: methyl 2-[(10-aminocarbonyl-7-azanyl-6-cyano-8-azaspiro[4.5]deca-6,9-dien-9-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(7-amino-10-carbamoyl-6-cyano-8-azaspiro[4.5]deca-6,9-dien-9-yl)sulfanyl]acetate CAS Name: 2-[(7-amino-10-carbamoyl-6-cyano-8-azaspiro[4.5]deca-6,9-dien-9-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(7-amino-10-carbamoyl-6-cyano-8-azaspiro[4.5]deca-6,9-dien-9-yl)sulfanyl]acetate Traditional Name: 2-[(7-amino-10-carbamoyl-6-cyano-8-azaspiro[4.5]deca-6,9-dien-9-yl)thio]acetic acid methyl ester Formula: C14H18N4O3S MolecularWeight: 322.38272

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C2(CCCC2)C(=C(N1)N)C#N)C(=O)N

Isomeric SMILES

COC(=O)CSC1=C(C2(CCCC2)C(=C(N1)N)C#N)C(=O)N

InChI

InChI=1S/C14H18N4O3S/c1-21-9(19)7-22-13-10(12(17)20)14(4-2-3-5-14)8(6-15)11(16)18-13/h18H,2-5,7,16H2,1H3,(H2,17,20)