ethyl 4-[5-[(2-azanyl-2-sulfanylidene-ethanethioyl)iminomethyl]furan-2-yl]benzoate

Systemtic Name: ethyl 4-[5-[(2-azanyl-2-sulfanylidene-ethanethioyl)iminomethyl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[(2-amino-2-thioxo-ethanethioyl)iminomethyl]-2-furyl]benzoate CAS Name: 4-[5-[[2-amino-1,2-bis(sulfanylidene)ethyl]iminomethyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[(2-amino-2-sulfanylideneethanethioyl)iminomethyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(2-amino-2-thioxo-thioacetyl)iminomethyl]-2-furyl]benzoic acid ethyl ester Formula: C16H14N2O3S2 MolecularWeight: 346.42396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=NC(=S)C(=S)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=NC(=S)C(=S)N

InChI

InChI=1S/C16H14N2O3S2/c1-2-20-16(19)11-5-3-10(4-6-11)13-8-7-12(21-13)9-18-15(23)14(17)22/h3-9H,2H2,1H3,(H2,17,22)