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

Systemtic Name: butyl 4-[5-[(E)-3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl]furan-2-yl]benzoate Openeye Name: butyl 4-[5-[(E)-3-amino-2-cyano-3-thioxo-prop-1-enyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]-2-furanyl]benzoic acid butyl ester IUPAC Name: butyl 4-[5-[(E)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-3-amino-2-cyano-3-thioxo-prop-1-enyl]-2-furyl]benzoic acid butyl ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C(\C#N)/C(=S)N

InChI

InChI=1S/C19H18N2O3S/c1-2-3-10-23-19(22)14-6-4-13(5-7-14)17-9-8-16(24-17)11-15(12-20)18(21)25/h4-9,11H,2-3,10H2,1H3,(H2,21,25)/b15-11+