cyclopentyl 2-[methanethioyl(4-methylsulfonylbutyl)amino]-3-phenyl-propanoate

Systemtic Name: cyclopentyl 2-[methanethioyl(4-methylsulfonylbutyl)amino]-3-phenyl-propanoate Openeye Name: cyclopentyl 2-[methanethioyl(4-methylsulfonylbutyl)amino]-3-phenyl-propanoate CAS Name: 2-[methanethioyl(4-methylsulfonylbutyl)amino]-3-phenylpropanoic acid cyclopentyl ester IUPAC Name: cyclopentyl 2-[methanethioyl(4-methylsulfonylbutyl)amino]-3-phenylpropanoate Traditional Name: 2-[4-mesylbutyl(thioformyl)amino]-3-phenyl-propionic acid cyclopentyl ester Formula: C20H29NO4S2 MolecularWeight: 411.57856

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCCCN(C=S)C(CC1=CC=CC=C1)C(=O)OC2CCCC2

Isomeric SMILES

CS(=O)(=O)CCCCN(C=S)C(CC1=CC=CC=C1)C(=O)OC2CCCC2

InChI

InChI=1S/C20H29NO4S2/c1-27(23,24)14-8-7-13-21(16-26)19(15-17-9-3-2-4-10-17)20(22)25-18-11-5-6-12-18/h2-4,9-10,16,18-19H,5-8,11-15H2,1H3