methyl 2-[[2-cyano-3-oxidanylidene-3-(1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propanoyl]amino]ethanoate

Systemtic Name: methyl 2-[[2-cyano-3-oxidanylidene-3-(1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propanoyl]amino]ethanoate Openeye Name: methyl 2-[[2-cyano-3-oxo-3-(1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propanoyl]amino]acetate CAS Name: 2-[[2-cyano-1,3-dioxo-3-(1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-cyano-3-oxo-3-(1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propanoyl]amino]acetate Traditional Name: 2-[[2-cyano-3-keto-3-(1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propanoyl]amino]acetic acid methyl ester Formula: C23H18N4O4S MolecularWeight: 446.47842

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C(C#N)C(=O)C1=NN(C2=C1CSC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

COC(=O)CNC(=O)C(C#N)C(=O)C1=NN(C2=C1CSC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C23H18N4O4S/c1-31-19(28)12-25-23(30)16(11-24)22(29)20-17-13-32-18-10-6-5-9-15(18)21(17)27(26-20)14-7-3-2-4-8-14/h2-10,16H,12-13H2,1H3,(H,25,30)