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

Systemtic Name: [2-[[3-ethoxycarbonyl-4-(4-phenylphenyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-[2-[[3-ethoxycarbonyl-4-(4-phenylphenyl)-2-thienyl]amino]-2-oxo-ethyl]ammonium CAS Name: [2-[[3-ethoxycarbonyl-4-(4-phenylphenyl)-2-thiophenyl]amino]-2-oxoethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[[3-ethoxycarbonyl-4-(4-phenylphenyl)thiophen-2-yl]amino]-2-oxoethyl]azanium Traditional Name: benzyl-[2-[[3-carbethoxy-4-(4-phenylphenyl)-2-thienyl]amino]-2-keto-ethyl]ammonium Formula: C28H27N2O3S+ MolecularWeight: 471.59058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3=CC=CC=C3)NC(=O)C[NH2+]CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3=CC=CC=C3)NC(=O)C[NH2+]CC4=CC=CC=C4

InChI

InChI=1S/C28H26N2O3S/c1-2-33-28(32)26-24(23-15-13-22(14-16-23)21-11-7-4-8-12-21)19-34-27(26)30-25(31)18-29-17-20-9-5-3-6-10-20/h3-16,19,29H,2,17-18H2,1H3,(H,30,31)/p+1