3-butyl-3-ethyl-4-methyl-5-phenylsulfanyl-4,5-dihydro-2H-1$l^{6}-benzothiepine 1,1-dioxide

Systemtic Name: 3-butyl-3-ethyl-4-methyl-5-phenylsulfanyl-4,5-dihydro-2H-1$l^{6}-benzothiepine 1,1-dioxide Openeye Name: 3-butyl-3-ethyl-4-methyl-5-phenylsulfanyl-4,5-dihydro-2H-1$l^{6}-benzothiepine 1,1-dioxide CAS Name: 3-butyl-3-ethyl-4-methyl-5-(phenylthio)-4,5-dihydro-2H-1$l^{6}-benzothiepin 1,1-dioxide IUPAC Name: 3-butyl-3-ethyl-4-methyl-5-phenylsulfanyl-4,5-dihydro-2H-1$l^{6}-benzothiepine 1,1-dioxide Traditional Name: 3-butyl-3-ethyl-4-methyl-5-(phenylthio)-4,5-dihydro-2H-1$l^{6}-benzothiepin 1,1-dioxide Formula: C23H30O2S2 MolecularWeight: 402.6131

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CS(=O)(=O)C2=CC=CC=C2C(C1C)SC3=CC=CC=C3)CC

Isomeric SMILES

CCCCC1(CS(=O)(=O)C2=CC=CC=C2C(C1C)SC3=CC=CC=C3)CC

InChI

InChI=1S/C23H30O2S2/c1-4-6-16-23(5-2)17-27(24,25)21-15-11-10-14-20(21)22(18(23)3)26-19-12-8-7-9-13-19/h7-15,18,22H,4-6,16-17H2,1-3H3