methyl 5-[4-[2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate

Systemtic Name: methyl 5-[4-[2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-[2-[(5-chloro-2-thienyl)methylsulfanyl]acetyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[2-[(5-chloro-2-thiophenyl)methylthio]-1-oxoethyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-[2-[(5-chloro-2-thienyl)methylthio]acetyl]piperazino]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C17H19ClN2O5S4 MolecularWeight: 495.05616

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSCC3=CC=C(S3)Cl

Isomeric SMILES

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSCC3=CC=C(S3)Cl

InChI

InChI=1S/C17H19ClN2O5S4/c1-25-17(22)12-8-16(27-9-12)29(23,24)20-6-4-19(5-7-20)15(21)11-26-10-13-2-3-14(18)28-13/h2-3,8-9H,4-7,10-11H2,1H3