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

Systemtic Name: [2-[[3-ethoxycarbonyl-4-(4-ethylphenyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-[[3-ethoxycarbonyl-4-(4-ethylphenyl)-2-thienyl]amino]-2-oxo-ethyl]ammonium CAS Name: [2-[[3-ethoxycarbonyl-4-(4-ethylphenyl)-2-thiophenyl]amino]-2-oxoethyl]ammonium IUPAC Name: [2-[[3-ethoxycarbonyl-4-(4-ethylphenyl)thiophen-2-yl]amino]-2-oxoethyl]azanium Traditional Name: [2-[[3-carbethoxy-4-(4-ethylphenyl)-2-thienyl]amino]-2-keto-ethyl]ammonium Formula: C17H21N2O3S+ MolecularWeight: 333.42524

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)C[NH3+]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)C[NH3+]

InChI

InChI=1S/C17H20N2O3S/c1-3-11-5-7-12(8-6-11)13-10-23-16(19-14(20)9-18)15(13)17(21)22-4-2/h5-8,10H,3-4,9,18H2,1-2H3,(H,19,20)/p+1