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

Systemtic Name: [2-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-[(3-methoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl]ammonium CAS Name: [2-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]ammonium IUPAC Name: [2-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]azanium Traditional Name: [2-[(3-carbomethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl]ammonium Formula: C12H17N2O3S+ MolecularWeight: 269.33998

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C[NH3+]

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C[NH3+]

InChI

InChI=1S/C12H16N2O3S/c1-17-12(16)10-7-4-2-3-5-8(7)18-11(10)14-9(15)6-13/h2-6,13H2,1H3,(H,14,15)/p+1