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

Systemtic Name: 2-(4-azanyl-5-methoxycarbonyl-2-sulfanylidene-1,3-thiazol-3-yl)ethyl-(2-phenoxyethyl)azanium Openeye Name: 2-(4-amino-5-methoxycarbonyl-2-thioxo-thiazol-3-yl)ethyl-(2-phenoxyethyl)ammonium CAS Name: 2-(4-amino-5-methoxycarbonyl-2-sulfanylidene-3-thiazolyl)ethyl-(2-phenoxyethyl)ammonium IUPAC Name: 2-(4-amino-5-methoxycarbonyl-2-sulfanylidene-1,3-thiazol-3-yl)ethyl-(2-phenoxyethyl)azanium Traditional Name: 2-(4-amino-5-carbomethoxy-2-thioxo-4-thiazolin-3-yl)ethyl-(2-phenoxyethyl)ammonium Formula: C15H20N3O3S2+ MolecularWeight: 354.4676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O3S2/c1-20-14(19)12-13(16)18(15(22)23-12)9-7-17-8-10-21-11-5-3-2-4-6-11/h2-6,17H,7-10,16H2,1H3/p+1