2,4-bis[2-ethylsulfanylethyl-[(4-phenylsulfanylphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid

Systemtic Name: 2,4-bis[2-ethylsulfanylethyl-[(4-phenylsulfanylphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid Openeye Name: 2,4-bis[2-ethylsulfanylethyl-[(4-phenylsulfanylphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid CAS Name: 2,4-bis[[2-(ethylthio)ethyl-[[4-(phenylthio)phenyl]methyl]amino]-oxomethyl]cyclobutane-1,3-dicarboxylic acid IUPAC Name: 2,4-bis[2-ethylsulfanylethyl-[(4-phenylsulfanylphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid Traditional Name: 2,4-bis[2-(ethylthio)ethyl-[4-(phenylthio)benzyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid Formula: C42H46N2O6S4 MolecularWeight: 803.08444

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCN(CC1=CC=C(C=C1)SC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)N(CCSCC)CC4=CC=C(C=C4)SC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CCSCCN(CC1=CC=C(C=C1)SC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)N(CCSCC)CC4=CC=C(C=C4)SC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C42H46N2O6S4/c1-3-51-25-23-43(27-29-15-19-33(20-16-29)53-31-11-7-5-8-12-31)39(45)35-37(41(47)48)36(38(35)42(49)50)40(46)44(24-26-52-4-2)28-30-17-21-34(22-18-30)54-32-13-9-6-10-14-32/h5-22,35-38H,3-4,23-28H2,1-2H3,(H,47,48)(H,49,50)