methyl 3-[(2E)-2-[(4-chlorophenyl)sulfonyl-cyano-methylidene]hydrazinyl]-5-methylsulfanyl-4-propan-2-ylsulfonyl-thiophene-2-carboxylate

Systemtic Name: methyl 3-[(2E)-2-[(4-chlorophenyl)sulfonyl-cyano-methylidene]hydrazinyl]-5-methylsulfanyl-4-propan-2-ylsulfonyl-thiophene-2-carboxylate Openeye Name: methyl 3-[(2E)-2-[(4-chlorophenyl)sulfonyl-cyano-methylene]hydrazino]-4-isopropylsulfonyl-5-methylsulfanyl-thiophene-2-carboxylate CAS Name: 3-[(2E)-2-[(4-chlorophenyl)sulfonyl-cyanomethylidene]hydrazinyl]-5-(methylthio)-4-propan-2-ylsulfonyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2E)-2-[(4-chlorophenyl)sulfonyl-cyanomethylidene]hydrazinyl]-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxylate Traditional Name: 3-[(N'E)-N'-[(4-chlorophenyl)sulfonyl-cyano-methylene]hydrazino]-4-isopropylsulfonyl-5-(methylthio)thiophene-2-carboxylic acid methyl ester Formula: C18H18ClN3O6S4 MolecularWeight: 536.06502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(SC(=C1NN=C(C#N)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)OC)SC

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(SC(=C1N/N=C(\C#N)/S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)OC)SC

InChI

InChI=1S/C18H18ClN3O6S4/c1-10(2)31(24,25)16-14(15(17(23)28-3)30-18(16)29-4)22-21-13(9-20)32(26,27)12-7-5-11(19)6-8-12/h5-8,10,22H,1-4H3/b21-13+