methyl 4-oxidanylidene-4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethylamino)butanoate

Systemtic Name: methyl 4-oxidanylidene-4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethylamino)butanoate Openeye Name: methyl 4-oxo-4-(4,5,6,7-tetrahydrobenzothiophen-3-ylmethylamino)butanoate CAS Name: 4-oxo-4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethylamino)butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethylamino)butanoate Traditional Name: 4-keto-4-(4,5,6,7-tetrahydrobenzothiophen-3-ylmethylamino)butyric acid methyl ester Formula: C14H19NO3S MolecularWeight: 281.37056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NCC1=CSC2=C1CCCC2

Isomeric SMILES

COC(=O)CCC(=O)NCC1=CSC2=C1CCCC2

InChI

InChI=1S/C14H19NO3S/c1-18-14(17)7-6-13(16)15-8-10-9-19-12-5-3-2-4-11(10)12/h9H,2-8H2,1H3,(H,15,16)