methyl (2S)-4-methylsulfanyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonylamino)butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)butanoate Traditional Name: (2S)-4-(methylthio)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)butyric acid methyl ester Formula: C16H23NO3S2 MolecularWeight: 341.48872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC2=C(S1)CCCCC2

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CC2=C(S1)CCCCC2

InChI

InChI=1S/C16H23NO3S2/c1-20-16(19)12(8-9-21-2)17-15(18)14-10-11-6-4-3-5-7-13(11)22-14/h10,12H,3-9H2,1-2H3,(H,17,18)/t12-/m0/s1