cyclohexyl-[2-[[3-ethoxycarbonyl-4-(4-methylphenyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: cyclohexyl-[2-[[3-ethoxycarbonyl-4-(4-methylphenyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: cyclohexyl-[2-[[3-ethoxycarbonyl-4-(p-tolyl)-2-thienyl]amino]-2-oxo-ethyl]ammonium CAS Name: cyclohexyl-[2-[[3-ethoxycarbonyl-4-(4-methylphenyl)-2-thiophenyl]amino]-2-oxoethyl]ammonium IUPAC Name: cyclohexyl-[2-[[3-ethoxycarbonyl-4-(4-methylphenyl)thiophen-2-yl]amino]-2-oxoethyl]azanium Traditional Name: [2-[[3-carbethoxy-4-(p-tolyl)-2-thienyl]amino]-2-keto-ethyl]-cyclohexyl-ammonium Formula: C22H29N2O3S+ MolecularWeight: 401.54226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C[NH2+]C3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C[NH2+]C3CCCCC3

InChI

InChI=1S/C22H28N2O3S/c1-3-27-22(26)20-18(16-11-9-15(2)10-12-16)14-28-21(20)24-19(25)13-23-17-7-5-4-6-8-17/h9-12,14,17,23H,3-8,13H2,1-2H3,(H,24,25)/p+1