6-[(1-cyanocyclohexyl)carbamoyl]-2,3-dihydro-1,4-dithiine-5-carboxylic acid

Systemtic Name: 6-[(1-cyanocyclohexyl)carbamoyl]-2,3-dihydro-1,4-dithiine-5-carboxylic acid Openeye Name: 6-[(1-cyanocyclohexyl)carbamoyl]-2,3-dihydro-1,4-dithiine-5-carboxylic acid CAS Name: 6-[[(1-cyanocyclohexyl)amino]-oxomethyl]-2,3-dihydro-1,4-dithiin-5-carboxylic acid IUPAC Name: 6-[(1-cyanocyclohexyl)carbamoyl]-2,3-dihydro-1,4-dithiine-5-carboxylic acid Traditional Name: 6-[(1-cyanocyclohexyl)carbamoyl]-2,3-dihydro-1,4-dithiin-5-carboxylic acid Formula: C13H16N2O3S2 MolecularWeight: 312.40774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)C2=C(SCCS2)C(=O)O

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)C2=C(SCCS2)C(=O)O

InChI

InChI=1S/C13H16N2O3S2/c14-8-13(4-2-1-3-5-13)15-11(16)9-10(12(17)18)20-7-6-19-9/h1-7H2,(H,15,16)(H,17,18)