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

Systemtic Name: [(2S)-butan-2-yl]-[2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl]-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]azanium Traditional Name: [2-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl]-[(1S)-1-methylpropyl]ammonium Formula: C17H27N2O3S+ MolecularWeight: 339.47288

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC

Isomeric SMILES

CC[C@H](C)[NH2+]CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC

InChI

InChI=1S/C17H26N2O3S/c1-4-11(3)18-10-14(20)19-16-15(17(21)22-5-2)12-8-6-7-9-13(12)23-16/h11,18H,4-10H2,1-3H3,(H,19,20)/p+1/t11-/m0/s1