ethyl 2-cyano-3-[[4-[(2-cyano-3-ethoxy-3-oxidanylidene-propanethioyl)carbamoyl]phenyl]carbonylamino]-3-sulfanylidene-propanoate

Systemtic Name: ethyl 2-cyano-3-[[4-[(2-cyano-3-ethoxy-3-oxidanylidene-propanethioyl)carbamoyl]phenyl]carbonylamino]-3-sulfanylidene-propanoate Openeye Name: ethyl 2-cyano-3-[[4-[(2-cyano-3-ethoxy-3-oxo-propanethioyl)carbamoyl]benzoyl]amino]-3-thioxo-propanoate CAS Name: 2-cyano-3-[[[4-[[(2-cyano-3-ethoxy-3-oxo-1-sulfanylidenepropyl)amino]-oxomethyl]phenyl]-oxomethyl]amino]-3-sulfanylidenepropanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-3-[[4-[(2-cyano-3-ethoxy-3-oxopropanethioyl)carbamoyl]benzoyl]amino]-3-sulfanylidenepropanoate Traditional Name: 2-cyano-3-[[4-[(2-cyano-3-ethoxy-3-keto-propanethioyl)carbamoyl]benzoyl]amino]-3-thioxo-propionic acid ethyl ester Formula: C20H18N4O6S2 MolecularWeight: 474.51012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(=S)NC(=O)C1=CC=C(C=C1)C(=O)NC(=S)C(C#N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C#N)C(=S)NC(=O)C1=CC=C(C=C1)C(=O)NC(=S)C(C#N)C(=O)OCC

InChI

InChI=1S/C20H18N4O6S2/c1-3-29-19(27)13(9-21)17(31)23-15(25)11-5-7-12(8-6-11)16(26)24-18(32)14(10-22)20(28)30-4-2/h5-8,13-14H,3-4H2,1-2H3,(H,23,25,31)(H,24,26,32)