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

Systemtic Name: methyl 5-[5-(3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl)furan-2-yl]-2-chloranyl-benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C16H11ClN2O3S MolecularWeight: 346.78814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClN2O3S/c1-21-16(20)12-7-9(2-4-13(12)17)14-5-3-11(22-14)6-10(8-18)15(19)23/h2-7H,1H3,(H2,19,23)