9-azanyl-10-cyano-7-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-8-azaspiro[4.5]deca-7,9-diene-6-carboxamide

Systemtic Name: 9-azanyl-10-cyano-7-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-8-azaspiro[4.5]deca-7,9-diene-6-carboxamide Openeye Name: 9-amino-10-cyano-7-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-8-azaspiro[4.5]deca-7,9-diene-6-carboxamide CAS Name: 9-amino-10-cyano-7-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-8-azaspiro[4.5]deca-7,9-diene-6-carboxamide IUPAC Name: 9-amino-10-cyano-7-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-8-azaspiro[4.5]deca-7,9-diene-6-carboxamide Traditional Name: 9-amino-10-cyano-7-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-8-azaspiro[4.5]deca-7,9-diene-6-carboxamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NC(=C(C3(C2C(=O)N)CCCC3)C#N)N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=NC(=C(C3(C2C(=O)N)CCCC3)C#N)N

InChI

InChI=1S/C20H22N4O3S/c1-27-13-6-4-12(5-7-13)15(25)11-28-19-16(18(23)26)20(8-2-3-9-20)14(10-21)17(22)24-19/h4-7,16H,2-3,8-9,11,22H2,1H3,(H2,23,26)