[2-[(2-ethoxycarbonyl-5-phenyl-thiophen-3-yl)amino]-2-oxidanylidene-ethyl]-methyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [2-[(2-ethoxycarbonyl-5-phenyl-thiophen-3-yl)amino]-2-oxidanylidene-ethyl]-methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [2-[(2-ethoxycarbonyl-5-phenyl-3-thienyl)amino]-2-oxo-ethyl]-methyl-(2-thienylmethyl)ammonium CAS Name: [2-[(2-ethoxycarbonyl-5-phenyl-3-thiophenyl)amino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-[(2-ethoxycarbonyl-5-phenylthiophen-3-yl)amino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [2-[(2-carbethoxy-5-phenyl-3-thienyl)amino]-2-keto-ethyl]-methyl-(2-thenyl)ammonium Formula: C21H23N2O3S2+ MolecularWeight: 415.54892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C[NH+](C)CC3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C[NH+](C)CC3=CC=CS3

InChI

InChI=1S/C21H22N2O3S2/c1-3-26-21(25)20-17(12-18(28-20)15-8-5-4-6-9-15)22-19(24)14-23(2)13-16-10-7-11-27-16/h4-12H,3,13-14H2,1-2H3,(H,22,24)/p+1