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

Systemtic Name: [2-[[3-ethoxycarbonyl-4-(4-methoxyphenyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-[2-[[3-ethoxycarbonyl-4-(4-methoxyphenyl)-2-thienyl]amino]-2-oxo-ethyl]ammonium CAS Name: [2-[[3-ethoxycarbonyl-4-(4-methoxyphenyl)-2-thiophenyl]amino]-2-oxoethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[[3-ethoxycarbonyl-4-(4-methoxyphenyl)thiophen-2-yl]amino]-2-oxoethyl]azanium Traditional Name: benzyl-[2-[[3-carbethoxy-4-(4-methoxyphenyl)-2-thienyl]amino]-2-keto-ethyl]ammonium Formula: C23H25N2O4S+ MolecularWeight: 425.5206

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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=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)C[NH2+]CC3=CC=CC=C3

InChI

InChI=1S/C23H24N2O4S/c1-3-29-23(27)21-19(17-9-11-18(28-2)12-10-17)15-30-22(21)25-20(26)14-24-13-16-7-5-4-6-8-16/h4-12,15,24H,3,13-14H2,1-2H3,(H,25,26)/p+1