(2-ethoxycarbonyl-1,3-thiazol-4-yl)methyl-ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium

Systemtic Name: (2-ethoxycarbonyl-1,3-thiazol-4-yl)methyl-ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium Openeye Name: (2-ethoxycarbonylthiazol-4-yl)methyl-ethyl-[2-oxo-2-(2-thienylmethylamino)ethyl]ammonium CAS Name: (2-ethoxycarbonyl-4-thiazolyl)methyl-ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]ammonium IUPAC Name: (2-ethoxycarbonyl-1,3-thiazol-4-yl)methyl-ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium Traditional Name: (2-carbethoxythiazol-4-yl)methyl-ethyl-[2-keto-2-(2-thenylamino)ethyl]ammonium Formula: C16H22N3O3S2+ MolecularWeight: 368.49418

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CSC(=N1)C(=O)OCC)CC(=O)NCC2=CC=CS2

Isomeric SMILES

CC[NH+](CC1=CSC(=N1)C(=O)OCC)CC(=O)NCC2=CC=CS2

InChI

InChI=1S/C16H21N3O3S2/c1-3-19(10-14(20)17-8-13-6-5-7-23-13)9-12-11-24-15(18-12)16(21)22-4-2/h5-7,11H,3-4,8-10H2,1-2H3,(H,17,20)/p+1