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

Systemtic Name: [2-[[3-ethoxycarbonyl-4-(4-methylphenyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl]-bis(phenylmethyl)azanium Openeye Name: dibenzyl-[2-[[3-ethoxycarbonyl-4-(p-tolyl)-2-thienyl]amino]-2-oxo-ethyl]ammonium CAS Name: [2-[[3-ethoxycarbonyl-4-(4-methylphenyl)-2-thiophenyl]amino]-2-oxoethyl]-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-[2-[[3-ethoxycarbonyl-4-(4-methylphenyl)thiophen-2-yl]amino]-2-oxoethyl]azanium Traditional Name: dibenzyl-[2-[[3-carbethoxy-4-(p-tolyl)-2-thienyl]amino]-2-keto-ethyl]ammonium Formula: C30H31N2O3S+ MolecularWeight: 499.64374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C[NH+](CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C[NH+](CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C30H30N2O3S/c1-3-35-30(34)28-26(25-16-14-22(2)15-17-25)21-36-29(28)31-27(33)20-32(18-23-10-6-4-7-11-23)19-24-12-8-5-9-13-24/h4-17,21H,3,18-20H2,1-2H3,(H,31,33)/p+1