[2-[[3-ethoxycarbonyl-4-(4-methoxyphenyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)azanium

Systemtic Name: [2-[[3-ethoxycarbonyl-4-(4-methoxyphenyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)azanium Openeye Name: [2-[[3-ethoxycarbonyl-4-(4-methoxyphenyl)-2-thienyl]amino]-2-oxo-ethyl]-(2-furylmethyl)ammonium CAS Name: [2-[[3-ethoxycarbonyl-4-(4-methoxyphenyl)-2-thiophenyl]amino]-2-oxoethyl]-(2-furanylmethyl)ammonium IUPAC Name: [2-[[3-ethoxycarbonyl-4-(4-methoxyphenyl)thiophen-2-yl]amino]-2-oxoethyl]-(furan-2-ylmethyl)azanium Traditional Name: [2-[[3-carbethoxy-4-(4-methoxyphenyl)-2-thienyl]amino]-2-keto-ethyl]-(2-furfuryl)ammonium Formula: C21H23N2O5S+ MolecularWeight: 415.48272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)C[NH2+]CC3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)C[NH2+]CC3=CC=CO3

InChI

InChI=1S/C21H22N2O5S/c1-3-27-21(25)19-17(14-6-8-15(26-2)9-7-14)13-29-20(19)23-18(24)12-22-11-16-5-4-10-28-16/h4-10,13,22H,3,11-12H2,1-2H3,(H,23,24)/p+1