methyl 5-methylsulfanyl-4-[2-[(4-piperidin-1-ylsulfonylphenyl)amino]-1,3-thiazol-4-yl]thiophene-2-carboxylate

Systemtic Name: methyl 5-methylsulfanyl-4-[2-[(4-piperidin-1-ylsulfonylphenyl)amino]-1,3-thiazol-4-yl]thiophene-2-carboxylate Openeye Name: methyl 5-methylsulfanyl-4-[2-[4-(1-piperidylsulfonyl)anilino]thiazol-4-yl]thiophene-2-carboxylate CAS Name: 5-(methylthio)-4-[2-[4-(1-piperidinylsulfonyl)anilino]-4-thiazolyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methylsulfanyl-4-[2-(4-piperidin-1-ylsulfonylanilino)-1,3-thiazol-4-yl]thiophene-2-carboxylate Traditional Name: 5-(methylthio)-4-[2-(4-piperidinosulfonylanilino)thiazol-4-yl]thiophene-2-carboxylic acid methyl ester Formula: C21H23N3O4S4 MolecularWeight: 509.68502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(S1)SC)C2=CSC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC(=O)C1=CC(=C(S1)SC)C2=CSC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H23N3O4S4/c1-28-19(25)18-12-16(20(29-2)31-18)17-13-30-21(23-17)22-14-6-8-15(9-7-14)32(26,27)24-10-4-3-5-11-24/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,22,23)