[[2-cyano-2-(cyclohexen-1-yl)butanoyl]amino] methanesulfinate

Systemtic Name: [[2-cyano-2-(cyclohexen-1-yl)butanoyl]amino] methanesulfinate Openeye Name: [[2-cyano-2-(cyclohexen-1-yl)butanoyl]amino] methanesulfinate CAS Name: methanesulfinic acid [[2-cyano-2-(1-cyclohexenyl)-1-oxobutyl]amino] ester IUPAC Name: [[2-cyano-2-(cyclohexen-1-yl)butanoyl]amino] methanesulfinate Traditional Name: methanesulfinic acid [[2-cyano-2-(cyclohexen-1-yl)butanoyl]amino] ester Formula: C12H18N2O3S MolecularWeight: 270.34792

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#N)(C1=CCCCC1)C(=O)NOS(=O)C

Isomeric SMILES

CCC(C#N)(C1=CCCCC1)C(=O)NOS(=O)C

InChI

InChI=1S/C12H18N2O3S/c1-3-12(9-13,10-7-5-4-6-8-10)11(15)14-17-18(2)16/h7H,3-6,8H2,1-2H3,(H,14,15)