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

Systemtic Name: [2-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-bis(phenylmethyl)azanium Openeye Name: dibenzyl-[2-[(3-ethoxycarbonyl-4-phenyl-2-thienyl)amino]-2-oxo-ethyl]ammonium CAS Name: [2-[(3-ethoxycarbonyl-4-phenyl-2-thiophenyl)amino]-2-oxoethyl]-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-[2-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl]azanium Traditional Name: dibenzyl-[2-[(3-carbethoxy-4-phenyl-2-thienyl)amino]-2-keto-ethyl]ammonium Formula: C29H29N2O3S+ MolecularWeight: 485.61716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H28N2O3S/c1-2-34-29(33)27-25(24-16-10-5-11-17-24)21-35-28(27)30-26(32)20-31(18-22-12-6-3-7-13-22)19-23-14-8-4-9-15-23/h3-17,21H,2,18-20H2,1H3,(H,30,32)/p+1