cyclooctyl-[2-[[3-ethoxycarbonyl-4-methyl-5-(methylcarbamoyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: cyclooctyl-[2-[[3-ethoxycarbonyl-4-methyl-5-(methylcarbamoyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: cyclooctyl-[2-[[3-ethoxycarbonyl-4-methyl-5-(methylcarbamoyl)-2-thienyl]amino]-2-oxo-ethyl]ammonium CAS Name: cyclooctyl-[2-[[3-ethoxycarbonyl-4-methyl-5-(methylcarbamoyl)-2-thiophenyl]amino]-2-oxoethyl]ammonium IUPAC Name: cyclooctyl-[2-[[3-ethoxycarbonyl-4-methyl-5-(methylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl]azanium Traditional Name: [2-[[3-carbethoxy-4-methyl-5-(methylcarbamoyl)-2-thienyl]amino]-2-keto-ethyl]-cyclooctyl-ammonium Formula: C20H32N3O4S+ MolecularWeight: 410.55078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)C[NH2+]C2CCCCCCC2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)C[NH2+]C2CCCCCCC2

InChI

InChI=1S/C20H31N3O4S/c1-4-27-20(26)16-13(2)17(18(25)21-3)28-19(16)23-15(24)12-22-14-10-8-6-5-7-9-11-14/h14,22H,4-12H2,1-3H3,(H,21,25)(H,23,24)/p+1