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

Systemtic Name: ethyl 5-[5-(3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl)furan-2-yl]-2-chloranyl-benzoate Openeye Name: ethyl 5-[5-(3-amino-2-cyano-3-thioxo-prop-1-enyl)-2-furyl]-2-chloro-benzoate CAS Name: 5-[5-(3-amino-2-cyano-3-sulfanylideneprop-1-enyl)-2-furanyl]-2-chlorobenzoic acid ethyl ester IUPAC Name: ethyl 5-[5-(3-amino-2-cyano-3-sulfanylideneprop-1-enyl)furan-2-yl]-2-chlorobenzoate Traditional Name: 5-[5-(3-amino-2-cyano-3-thioxo-prop-1-enyl)-2-furyl]-2-chloro-benzoic acid ethyl ester Formula: C17H13ClN2O3S MolecularWeight: 360.81472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClN2O3S/c1-2-22-17(21)13-8-10(3-5-14(13)18)15-6-4-12(23-15)7-11(9-19)16(20)24/h3-8H,2H2,1H3,(H2,20,24)