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

Systemtic Name: methyl 2-[5-(3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl)furan-2-yl]benzoate Openeye Name: methyl 2-[5-(3-amino-2-cyano-3-thioxo-prop-1-enyl)-2-furyl]benzoate CAS Name: 2-[5-(3-amino-2-cyano-3-sulfanylideneprop-1-enyl)-2-furanyl]benzoic acid methyl ester IUPAC Name: methyl 2-[5-(3-amino-2-cyano-3-sulfanylideneprop-1-enyl)furan-2-yl]benzoate Traditional Name: 2-[5-(3-amino-2-cyano-3-thioxo-prop-1-enyl)-2-furyl]benzoic acid methyl ester Formula: C16H12N2O3S MolecularWeight: 312.34308

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2=CC=C(O2)C=C(C#N)C(=S)N

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2=CC=C(O2)C=C(C#N)C(=S)N

InChI

InChI=1S/C16H12N2O3S/c1-20-16(19)13-5-3-2-4-12(13)14-7-6-11(21-14)8-10(9-17)15(18)22/h2-8H,1H3,(H2,18,22)