[2-[[(4S)-3-ethoxycarbonyl-4-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: [2-[[(4S)-3-ethoxycarbonyl-4-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-[[(4S)-3-ethoxycarbonyl-4-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-oxo-ethyl]ammonium CAS Name: [2-[[(4S)-3-ethoxycarbonyl-4-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl]ammonium IUPAC Name: [2-[[(4S)-3-ethoxycarbonyl-4-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl]azanium Traditional Name: [2-[[(4S)-3-carbethoxy-4-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-keto-ethyl]ammonium Formula: C14H21N2O3S+ MolecularWeight: 297.39314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C(CCC2)C)NC(=O)C[NH3+]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1[C@H](CCC2)C)NC(=O)C[NH3+]

InChI

InChI=1S/C14H20N2O3S/c1-3-19-14(18)12-11-8(2)5-4-6-9(11)20-13(12)16-10(17)7-15/h8H,3-7,15H2,1-2H3,(H,16,17)/p+1/t8-/m0/s1