ethyl-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl]-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium

Systemtic Name: ethyl-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl]-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium Openeye Name: ethyl-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxo-ethyl]-[2-oxo-2-(2-thienylmethylamino)ethyl]ammonium CAS Name: ethyl-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]ammonium IUPAC Name: ethyl-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium Traditional Name: [2-[(4-carbomethoxybenzyl)amino]-2-keto-ethyl]-ethyl-[2-keto-2-(2-thenylamino)ethyl]ammonium Formula: C20H26N3O4S+ MolecularWeight: 404.50314

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC(=O)NCC1=CC=C(C=C1)C(=O)OC)CC(=O)NCC2=CC=CS2

Isomeric SMILES

CC[NH+](CC(=O)NCC1=CC=C(C=C1)C(=O)OC)CC(=O)NCC2=CC=CS2

InChI

InChI=1S/C20H25N3O4S/c1-3-23(14-19(25)22-12-17-5-4-10-28-17)13-18(24)21-11-15-6-8-16(9-7-15)20(26)27-2/h4-10H,3,11-14H2,1-2H3,(H,21,24)(H,22,25)/p+1