dimethyl 1,4-bis(tert-butylsulfanyl)-3,7-diphenyl-2-benzothiophene-5,6-dicarboxylate

Systemtic Name: dimethyl 1,4-bis(tert-butylsulfanyl)-3,7-diphenyl-2-benzothiophene-5,6-dicarboxylate Openeye Name: dimethyl 1,4-bis(tert-butylsulfanyl)-3,7-diphenyl-2-benzothiophene-5,6-dicarboxylate CAS Name: 1,4-bis(tert-butylthio)-3,7-diphenyl-2-benzothiophene-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1,4-bis(tert-butylsulfanyl)-3,7-diphenyl-2-benzothiophene-5,6-dicarboxylate Traditional Name: 1,4-bis(tert-butylthio)-3,7-diphenyl-isobenzothiophene-5,6-dicarboxylic acid dimethyl ester Formula: C32H34O4S3 MolecularWeight: 578.80496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=C(C(=C(C2=C(SC(=C21)C3=CC=CC=C3)SC(C)(C)C)C4=CC=CC=C4)C(=O)OC)C(=O)OC

Isomeric SMILES

CC(C)(C)SC1=C(C(=C(C2=C(SC(=C21)C3=CC=CC=C3)SC(C)(C)C)C4=CC=CC=C4)C(=O)OC)C(=O)OC

InChI

InChI=1S/C32H34O4S3/c1-31(2,3)38-27-24-23(30(39-32(4,5)6)37-26(24)20-17-13-10-14-18-20)21(19-15-11-9-12-16-19)22(28(33)35-7)25(27)29(34)36-8/h9-18H,1-8H3