[2-[[(2R)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]amino]-1,3-thiazol-5-yl] thiocyanate

Systemtic Name: [2-[[(2R)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]amino]-1,3-thiazol-5-yl] thiocyanate Openeye Name: [2-[[(2R)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]amino]thiazol-5-yl] thiocyanate CAS Name: thiocyanic acid [2-[[(2R)-3-cyclopentyl-2-(4-methylsulfonylphenyl)-1-oxopropyl]amino]-5-thiazolyl] ester IUPAC Name: [2-[[(2R)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]amino]-1,3-thiazol-5-yl] thiocyanate Traditional Name: thiocyanic acid [2-[[(2R)-3-cyclopentyl-2-(4-mesylphenyl)propanoyl]amino]thiazol-5-yl] ester Formula: C19H21N3O3S3 MolecularWeight: 435.58334

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(CC2CCCC2)C(=O)NC3=NC=C(S3)SC#N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)[C@@H](CC2CCCC2)C(=O)NC3=NC=C(S3)SC#N

InChI

InChI=1S/C19H21N3O3S3/c1-28(24,25)15-8-6-14(7-9-15)16(10-13-4-2-3-5-13)18(23)22-19-21-11-17(27-19)26-12-20/h6-9,11,13,16H,2-5,10H2,1H3,(H,21,22,23)/t16-/m1/s1