methyl 2-[(2-methylsulfanyl-1-propyl-cyclopentyl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[(2-methylsulfanyl-1-propyl-cyclopentyl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[(2-methylsulfanyl-1-propyl-cyclopentanecarbonyl)amino]-3-phenyl-propanoate CAS Name: 2-[[[2-(methylthio)-1-propylcyclopentyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[(2-methylsulfanyl-1-propylcyclopentanecarbonyl)amino]-3-phenylpropanoate Traditional Name: 2-[[2-(methylthio)-1-propyl-cyclopentanecarbonyl]amino]-3-phenyl-propionic acid methyl ester Formula: C20H29NO3S MolecularWeight: 363.51416

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CCCC1SC)C(=O)NC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCCC1(CCCC1SC)C(=O)NC(CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C20H29NO3S/c1-4-12-20(13-8-11-17(20)25-3)19(23)21-16(18(22)24-2)14-15-9-6-5-7-10-15/h5-7,9-10,16-17H,4,8,11-14H2,1-3H3,(H,21,23)