ethyl 4-[5-(3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl)furan-2-yl]benzoate

Systemtic Name: ethyl 4-[5-(3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl)furan-2-yl]benzoate Openeye Name: ethyl 4-[5-(3-amino-2-cyano-3-thioxo-prop-1-enyl)-2-furyl]benzoate CAS Name: 4-[5-(3-amino-2-cyano-3-sulfanylideneprop-1-enyl)-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-(3-amino-2-cyano-3-sulfanylideneprop-1-enyl)furan-2-yl]benzoate Traditional Name: 4-[5-(3-amino-2-cyano-3-thioxo-prop-1-enyl)-2-furyl]benzoic acid ethyl ester Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O3S/c1-2-21-17(20)12-5-3-11(4-6-12)15-8-7-14(22-15)9-13(10-18)16(19)23/h3-9H,2H2,1H3,(H2,19,23)