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

Systemtic Name: 1-[2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl]cyclopentane-1-carboxylic acid Openeye Name: 1-[2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl]cyclopentanecarboxylic acid CAS Name: 1-[2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl]-1-cyclopentanecarboxylic acid IUPAC Name: 1-[2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid Traditional Name: 1-[2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl]cyclopentanecarboxylic acid Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)CC2(CCCC2)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)CC2(CCCC2)C(=O)O

InChI

InChI=1S/C16H18N2O3S/c1-11-8-12(22-10-17)4-5-13(11)18-14(19)9-16(15(20)21)6-2-3-7-16/h4-5,8H,2-3,6-7,9H2,1H3,(H,18,19)(H,20,21)