2-(4-azanyl-5-ethoxycarbonyl-2-sulfanylidene-1,3-thiazol-3-yl)ethyl-(2-phenoxyethyl)azanium

Systemtic Name: 2-(4-azanyl-5-ethoxycarbonyl-2-sulfanylidene-1,3-thiazol-3-yl)ethyl-(2-phenoxyethyl)azanium Openeye Name: 2-(4-amino-5-ethoxycarbonyl-2-thioxo-thiazol-3-yl)ethyl-(2-phenoxyethyl)ammonium CAS Name: 2-(4-amino-5-ethoxycarbonyl-2-sulfanylidene-3-thiazolyl)ethyl-(2-phenoxyethyl)ammonium IUPAC Name: 2-(4-amino-5-ethoxycarbonyl-2-sulfanylidene-1,3-thiazol-3-yl)ethyl-(2-phenoxyethyl)azanium Traditional Name: 2-(4-amino-5-carbethoxy-2-thioxo-4-thiazolin-3-yl)ethyl-(2-phenoxyethyl)ammonium Formula: C16H22N3O3S2+ MolecularWeight: 368.49418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)S1)CC[NH2+]CCOC2=CC=CC=C2)N

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)S1)CC[NH2+]CCOC2=CC=CC=C2)N

InChI

InChI=1S/C16H21N3O3S2/c1-2-21-15(20)13-14(17)19(16(23)24-13)10-8-18-9-11-22-12-6-4-3-5-7-12/h3-7,18H,2,8-11,17H2,1H3/p+1