1-[2-[(2-ethyl-6-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl]cyclopentane-1-carboxylic acid

Systemtic Name: 1-[2-[(2-ethyl-6-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl]cyclopentane-1-carboxylic acid Openeye Name: 1-[2-(2-ethyl-6-methyl-4-thiocyanato-anilino)-2-oxo-ethyl]cyclopentanecarboxylic acid CAS Name: 1-[2-(2-ethyl-6-methyl-4-thiocyanatoanilino)-2-oxoethyl]-1-cyclopentanecarboxylic acid IUPAC Name: 1-[2-(2-ethyl-6-methyl-4-thiocyanatoanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid Traditional Name: 1-[2-(2-ethyl-6-methyl-4-thiocyanato-anilino)-2-keto-ethyl]cyclopentanecarboxylic acid Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1)SC#N)C)NC(=O)CC2(CCCC2)C(=O)O

Isomeric SMILES

CCC1=C(C(=CC(=C1)SC#N)C)NC(=O)CC2(CCCC2)C(=O)O

InChI

InChI=1S/C18H22N2O3S/c1-3-13-9-14(24-11-19)8-12(2)16(13)20-15(21)10-18(17(22)23)6-4-5-7-18/h8-9H,3-7,10H2,1-2H3,(H,20,21)(H,22,23)