methyl 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoylamino]cycloheptane-1-carboxylate

Systemtic Name: methyl 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoylamino]cycloheptane-1-carboxylate Openeye Name: methyl 1-[[2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]acetyl]amino]cycloheptanecarboxylate CAS Name: 1-[[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1-oxoethyl]amino]-1-cycloheptanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]cycloheptane-1-carboxylate Traditional Name: 1-[[2-[(3,5-dimethylisoxazol-4-yl)methylthio]acetyl]amino]cycloheptanecarboxylic acid methyl ester Formula: C17H26N2O4S MolecularWeight: 354.46434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSCC(=O)NC2(CCCCCC2)C(=O)OC

Isomeric SMILES

CC1=C(C(=NO1)C)CSCC(=O)NC2(CCCCCC2)C(=O)OC

InChI

InChI=1S/C17H26N2O4S/c1-12-14(13(2)23-19-12)10-24-11-15(20)18-17(16(21)22-3)8-6-4-5-7-9-17/h4-11H2,1-3H3,(H,18,20)