1-chloranyl-4-methyl-benzene; methyl 2-[[1-tert-butylsulfanyl-5-(quinolin-2-ylmethoxy)indol-2-yl]methyl]-2-ethyl-butanoate

Systemtic Name: 1-chloranyl-4-methyl-benzene; methyl 2-[[1-tert-butylsulfanyl-5-(quinolin-2-ylmethoxy)indol-2-yl]methyl]-2-ethyl-butanoate Openeye Name: 1-chloro-4-methyl-benzene; methyl 2-[[1-tert-butylsulfanyl-5-(2-quinolylmethoxy)indol-2-yl]methyl]-2-ethyl-butanoate CAS Name: 2-[[1-(tert-butylthio)-5-(2-quinolinylmethoxy)-2-indolyl]methyl]-2-ethylbutanoic acid methyl ester; 1-chloro-4-methylbenzene IUPAC Name: 1-chloro-4-methylbenzene; methyl 2-[[1-tert-butylsulfanyl-5-(quinolin-2-ylmethoxy)indol-2-yl]methyl]-2-ethylbutanoate Traditional Name: 2-[[1-(tert-butylthio)-5-(2-quinolylmethoxy)indol-2-yl]methyl]-2-ethyl-butyric acid methyl ester; 1-chloro-4-methyl-benzene Formula: C37H43ClN2O3S MolecularWeight: 631.26692

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC1=CC2=C(N1SC(C)(C)C)C=CC(=C2)OCC3=NC4=CC=CC=C4C=C3)C(=O)OC.CC1=CC=C(C=C1)Cl

Isomeric SMILES

CCC(CC)(CC1=CC2=C(N1SC(C)(C)C)C=CC(=C2)OCC3=NC4=CC=CC=C4C=C3)C(=O)OC.CC1=CC=C(C=C1)Cl

InChI

InChI=1S/C30H36N2O3S.C7H7Cl/c1-7-30(8-2,28(33)34-6)19-24-17-22-18-25(15-16-27(22)32(24)36-29(3,4)5)35-20-23-14-13-21-11-9-10-12-26(21)31-23;1-6-2-4-7(8)5-3-6/h9-18H,7-8,19-20H2,1-6H3;2-5H,1H3