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

Systemtic Name: [2-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-bis(2-methoxyethyl)azanium Openeye Name: [2-[(3-ethoxycarbonyl-5-phenyl-2-thienyl)amino]-2-oxo-ethyl]-bis(2-methoxyethyl)ammonium CAS Name: [2-[(3-ethoxycarbonyl-5-phenyl-2-thiophenyl)amino]-2-oxoethyl]-bis(2-methoxyethyl)ammonium IUPAC Name: [2-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-2-oxoethyl]-bis(2-methoxyethyl)azanium Traditional Name: [2-[(3-carbethoxy-5-phenyl-2-thienyl)amino]-2-keto-ethyl]-bis(2-methoxyethyl)ammonium Formula: C21H29N2O5S+ MolecularWeight: 421.53036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C[NH+](CCOC)CCOC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C[NH+](CCOC)CCOC

InChI

InChI=1S/C21H28N2O5S/c1-4-28-21(25)17-14-18(16-8-6-5-7-9-16)29-20(17)22-19(24)15-23(10-12-26-2)11-13-27-3/h5-9,14H,4,10-13,15H2,1-3H3,(H,22,24)/p+1