[2-cyclopentyl-4-(2,3-dimethylbenzo[f][1]benzothiol-4-yl)phenyl] 2-methylsulfanylpyrimidine-5-sulfonate

Systemtic Name: [2-cyclopentyl-4-(2,3-dimethylbenzo[f][1]benzothiol-4-yl)phenyl] 2-methylsulfanylpyrimidine-5-sulfonate Openeye Name: [2-cyclopentyl-4-(2,3-dimethylbenzo[f]benzothiophen-4-yl)phenyl] 2-methylsulfanylpyrimidine-5-sulfonate CAS Name: 2-(methylthio)-5-pyrimidinesulfonic acid [2-cyclopentyl-4-(2,3-dimethyl-4-benzo[f][1]benzothiolyl)phenyl] ester IUPAC Name: [2-cyclopentyl-4-(2,3-dimethylbenzo[f][1]benzothiol-4-yl)phenyl] 2-methylsulfanylpyrimidine-5-sulfonate Traditional Name: 2-(methylthio)pyrimidine-5-sulfonic acid [2-cyclopentyl-4-(2,3-dimethylbenzo[f]benzothiophen-4-yl)phenyl] ester Formula: C30H28N2O3S3 MolecularWeight: 560.74992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC3=CC=CC=C3C(=C12)C4=CC(=C(C=C4)OS(=O)(=O)C5=CN=C(N=C5)SC)C6CCCC6)C

Isomeric SMILES

CC1=C(SC2=CC3=CC=CC=C3C(=C12)C4=CC(=C(C=C4)OS(=O)(=O)C5=CN=C(N=C5)SC)C6CCCC6)C

InChI

InChI=1S/C30H28N2O3S3/c1-18-19(2)37-27-15-21-10-6-7-11-24(21)29(28(18)27)22-12-13-26(25(14-22)20-8-4-5-9-20)35-38(33,34)23-16-31-30(36-3)32-17-23/h6-7,10-17,20H,4-5,8-9H2,1-3H3