[4-azanyl-6-cyano-8-(N-cyano-C-ethyl-carbonimidoyl)-2,2-dimethyl-3,4-dihydrochromen-3-yl] methanesulfonate

Systemtic Name: [4-azanyl-6-cyano-8-(N-cyano-C-ethyl-carbonimidoyl)-2,2-dimethyl-3,4-dihydrochromen-3-yl] methanesulfonate Openeye Name: [4-amino-6-cyano-8-(N-cyano-C-ethyl-carbonimidoyl)-2,2-dimethyl-chroman-3-yl] methanesulfonate CAS Name: methanesulfonic acid [4-amino-6-cyano-8-(1-cyanoiminopropyl)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [4-amino-6-cyano-8-(N-cyano-C-ethylcarbonimidoyl)-2,2-dimethyl-3,4-dihydrochromen-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [4-amino-6-cyano-8-(N-cyano-C-ethyl-carbonimidoyl)-2,2-dimethyl-chroman-3-yl] ester Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NC#N)C1=C2C(=CC(=C1)C#N)C(C(C(O2)(C)C)OS(=O)(=O)C)N

Isomeric SMILES

CCC(=NC#N)C1=C2C(=CC(=C1)C#N)C(C(C(O2)(C)C)OS(=O)(=O)C)N

InChI

InChI=1S/C17H20N4O4S/c1-5-13(21-9-19)11-6-10(8-18)7-12-14(20)16(25-26(4,22)23)17(2,3)24-15(11)12/h6-7,14,16H,5,20H2,1-4H3